SCHEMBL9013355

SCHEMBL9013355

[CH]1Cc2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR6 P50406 1/20 0.36
MAOA P21397 3/20 0.36
CES1 P23141 2/20 0.36
MAOB P27338 2/20 0.33
BCHE P06276 1/20 0.33
PTGS2 P35354 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL3943765 0.82 MAOA (0.56) KDM4EALDH1A1HPGDNPC1LMNA
SCHEMBL8700 0.78
SCHEMBL1588014 0.76 CES1 (0.43) KDM4EALDH1A1HPGDNPC1LMNA
SCHEMBL2943057 0.76 CA1 (0.44) KDM4EALDH1A1HPGDNPC1LMNA
SCHEMBL7637856 0.75 CA1 (0.43) KDM4EALDH1A1HPGDNPC1LMNA
SCHEMBL268687 0.73 CYP2A6 (0.45) KDM4EALDH1A1HPGDNPC1LMNA
SCHEMBL16795818 0.70 MAOA (0.36) KDM4EALDH1A1HPGDNPC1LMNA
SCHEMBL17140795 0.70 TSHR (0.35) ALDH1A1LMNAHTR6ADRA1DADRA1A
SCHEMBL57446 0.70 MAOA (0.46) KDM4EALDH1A1HPGDNPC1LMNA
SCHEMBL1450360 0.70 MEN1 (0.39) KDM4EALDH1A1HPGDNPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5081282-A Bicyclo compounds, inhibitors of thromboxane activity NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-01-14 US claimed
US-5077309-A Thromboxane a2 antagonist NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-12-31 US claimed
US-5055582-A Process for preparing thromboxane A2 antagonists NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-10-08 US claimed
US-5028733-A Prostaglandins NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-07-02 US claimed
US-5025034-A Thromboxane inhibitors NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-06-18 US claimed
US-5006539-A Thromborane inhibitor NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-04-09 US claimed
US-4992563-A Benzopyran intermediates for use in manufacturing thromboxane A2 antagonists NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-02-12 US claimed
US-4945106-A Prostaglandins NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-07-31 US claimed
EP-0231078-B1 PROSTAGLANDINS NAT RES DEV (GB) 1990-04-25 EP claimed
EP-0082646-B1 PROSTAGLANDINS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1989-11-15 EP claimed
US-4837234-A Prostaglandins NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1989-06-06 US claimed
US-4628061-A Prostaglandins NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-12-09 US claimed
US-4596823-A Prostaglandins NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-06-24 US claimed
WO-2023104059-A1 CIRCULATING TUMOR CELL DETECTION MATERIAL, DETECTOR AND DETECTION METHOD 深圳先进技术研究院 2023-06-15 WO disclosed
EP-0740649-A1 NITROXY GROUP-CONTAINING BENZYLAMINE DERIVATIVES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES, AS WELL AS INCREASED INTRA-OCULAR PRESSURE Byk Nederland BV (NL) 1996-11-06 EP disclosed
WO-1995019952-A1 NITROXY GROUP-CONTAINING BENZYLAMINE DERIVATIVES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES, AS WELL AS INCREASED INTRA-OCULAR PRESSURE BYK NEDERLAND BV (NL) 1995-07-27 WO disclosed
US-4992563-A Benzopyran intermediates for use in manufacturing thromboxane A2 antagonists NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-02-12 US disclosed
EP-0231078-B1 PROSTAGLANDINS NAT RES DEV (GB) 1990-04-25 EP disclosed
EP-0082646-B1 PROSTAGLANDINS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1989-11-15 EP disclosed
US-4609763-A RUTENIUM CATALYST, HYDROGEN BROMIDE PROMOTER, HYDROPEROXIDE OXIDANT THE BRITISH PETROLEUM COMPANY P.L.C. (GB) 1986-09-02 US disclosed