SCHEMBL9009599

SCHEMBL9009599

C=CC(O)(Br)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 4/20 0.41
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
KCNN4 O15554 1/20 0.36
HSP90AA1 P07900 1/20 0.35
AKT1 P31749 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2D6 P10635 2/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
PTPN1 P18031 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10608360 0.77 ALDH1A1 (0.42) ALDH1A1TSHRKDM4EHTTCYP1A2
SCHEMBL902761 0.77 ALDH1A1 (0.42) ALDH1A1TSHRKDM4EHTTCYP1A2
SCHEMBL4887210 0.77 KDM4E (0.48) ALDH1A1TSHRKDM4EHTTCYP1A2
SCHEMBL6268909 0.75 MAPK1 (0.37) ALDH1A1TSHRKDM4EHTTCYP1A2
SCHEMBL16933814 0.74 ALDH1A1 (0.39) ALDH1A1TSHRKDM4EHTTCYP1A2
SCHEMBL11468479 0.74 ALDH1A1 (0.39) ALDH1A1TSHRKDM4EHTTCYP1A2
SCHEMBL3284526 0.73 ALDH1A1 (0.43) ALDH1A1TSHRKDM4EHTTCYP1A2
SCHEMBL11411564 0.73 TSHR (0.46) ALDH1A1TSHRKDM4EHTTCYP1A2
SCHEMBL29032839 0.73 ALDH1A1 (0.46) ALDH1A1TSHRKDM4EHTTCYP1A2
SCHEMBL8854227 0.73 KCNN4 (0.46) ALDH1A1TSHRKDM4EHTTCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103570489-B Method for preparing cis-olefin from alkyne through copper catalysis UNIV NORTHWEST A&F 2015-06-24 CN claimed
CN-103570489-A Method for preparing cis-olefin from alkyne through copper catalysis UNIV NORTHWEST A&F 2014-02-12 CN claimed
JP-4321689-A None JP disclosed
CN-114957086-B Synthesis method and application of N-trifluoromethyl sulfonyl phthalimide 杭州师范大学 2023-06-02 CN disclosed
CN-114957086-A Synthesis method and application of N-trifluoromethylsulfonyl phthalimide 杭州师范大学 2022-08-30 CN disclosed
CN-103570489-B Method for preparing cis-olefin from alkyne through copper catalysis UNIV NORTHWEST A&F 2015-06-24 CN disclosed
CN-103570489-A Method for preparing cis-olefin from alkyne through copper catalysis UNIV NORTHWEST A&F 2014-02-12 CN disclosed
US-5550248-A Substituted stryl heterocyclic amido prostaglandin analogs E.R. SQUIBB & SONS, INC. (US) 1996-08-27 US disclosed
EP-0447188-B1 7-Oxabicycloheptane imidazole prostaglandin analogs useful in the treatment of thrombotic and vasospastic diseases SQUIBB & SONS INC (US) 1995-06-28 EP disclosed
EP-0391652-B1 Interphenylène 7-oxabicycloheptyl substituted heterocyclic amide prostaglandin analogs useful in the treatment of thrombotic and vasopastic disease SQUIBB & SONS INC (US) 1995-03-15 EP disclosed
US-5290799-A 7-oxabicycloheptyl substituted heterocyclic thioamide prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E. R. SQUIBB & SONS, INC. (US) 1994-03-01 US disclosed
US-5100889-A Thromboxane A2 receptor antagonists, thromboxane synthetase inhibitor E. R. SQUIBB & SONS, INC. (US) 1992-03-31 US disclosed
EP-0476994-A1 7-Oxabicycloheptyl substituted heterocyclic thioamide prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E.R. SQUIBB & SONS, INC. (US) 1992-03-25 EP disclosed
EP-0447188-A2 7-Oxabicycloheptane imidazole prostaglandin analogs useful in the treatment of thrombotic and vasospastic diseases E.R. SQUIBB & SONS, INC. (US) 1991-09-18 EP disclosed
US-4977174-A Anticoagulants, antischemic agents E. R. SQUIBB & SONS, INC. (US) 1990-12-11 US disclosed
EP-0391652-A1 Interphenylène 7-oxabicycloheptyl substituted heterocyclic amide prostaglandin analogs useful in the treatment of thrombotic and vasopastic disease E.R. SQUIBB & SONS, INC. (US) 1990-10-10 EP disclosed
EP-0369279-A1 7-oxabicycloheptane imino interphenyleneoxy substituted prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E.R. SQUIBB & SONS, INC. (US) 1990-05-23 EP disclosed
EP-0369278-A1 7-oxabicycloheptane imino interphenylene substituted prostaglandin analogs useful in the treatment of thrombotic disease E.R. SQUIBB & SONS, INC. (US) 1990-05-23 EP disclosed
US-4883811-A 7-Oxabicycloheptane imino interphenylene substituted prostaglandin analogs useful in the treatment of thrombotic disease E. R. SQUIBB & SONS, INC. 1989-11-28 US disclosed
US-4883809-A 7-Oxabicycloheptane imino interphenyleneoxy substituted prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E. R. SQUIBB & SONS, INC. 1989-11-28 US disclosed