SCHEMBL6561130

SCHEMBL6561130

O=C1CC2(CCCC2)Oc2ccc(F)cc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.68
ATM Q13315 3/20 0.67
HTT P42858 1/20 0.67
HSD11B1 P28845 1/20 0.58
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
HTR2A P28223 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC3 O15379 6/20 0.45
HDAC4 P56524 6/20 0.45
HDAC1 Q13547 6/20 0.45
HDAC7 Q8WUI4 6/20 0.45
HDAC2 Q92769 6/20 0.45
HDAC10 Q969S8 6/20 0.45
HDAC11 Q96DB2 6/20 0.45
HDAC8 Q9BY41 6/20 0.45
HDAC6 Q9UBN7 6/20 0.45

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
SCHEMBL6560495 0.98 KDM4E (0.69) KDM4EATMHTTHSD11B1ALDH1A1
SCHEMBL620087 0.97 KDM4E (0.64) KDM4EATMHTTHSD11B1ALDH1A1
SCHEMBL12030815 0.88 HDAC3 (0.60) KDM4EATMHTTHSD11B1ALDH1A1
SCHEMBL6828090 0.87 HDAC3 (0.57) KDM4EATMHTTHSD11B1HTR2A
SCHEMBL4352974 0.86 KDM4E (0.57) KDM4EATMHTTHSD11B1ALDH1A1
Hydrochloric Acid SCHEMBL3491077 0.85 HDAC3 (0.56) KDM4EATMHTTHSD11B1HTR2A
SCHEMBL620216 0.84 KDM4E (0.52) KDM4EATMHTTHSD11B1L3MBTL1
SCHEMBL29920628 0.84 KDM4E (0.52) KDM4EATMHTTHSD11B1L3MBTL1
SCHEMBL23957160 0.83 HDAC3 (0.55) KDM4EATMHTTHSD11B1HTR2A
SCHEMBL30094698 0.83 HDAC3 (0.55) KDM4EATMHTTHSD11B1HTR2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109206417-B Opioid receptor agonists and uses thereof 四川海思科制药有限公司 2023-01-03 CN disclosed
CN-115124520-A Opioid receptor agonists and uses thereof 四川海思科制药有限公司 2022-09-30 CN disclosed
EP-0807629-B1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed