SCHEMBL7491561

SCHEMBL7491561

COc1cccc(CC2CCOC2=O)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
EED O75530 1/20 0.47
CMA1 P23946 1/20 0.46
ROCK2 O75116 1/20 0.45
HTR1A P08908 2/20 0.44
SLC6A4 P31645 1/20 0.44
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.42
IDO1 P14902 1/20 0.42
AGXT P21549 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42

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
SCHEMBL9566869 0.82 GLA (0.50) MEN1CYP3A4MAPTKMT2ASMN1; SMN2
SCHEMBL30288224 0.79 CYP3A4 (0.54) LMNAMEN1CYP3A4MAPTKMT2A
SCHEMBL19050086 0.78 EED (0.53) ALDH1A1GAAEEDCMA1ROCK2
SCHEMBL7488176 0.78 KCNH3 (0.36) ALDH1A1GAAROCK2HTR1ASLC6A4
SCHEMBL14569707 0.78 ACHE (0.49) ALDH1A1
SCHEMBL8061389 0.77 EED (0.52) ALDH1A1EEDCMA1ROCK2HTR1A
SCHEMBL7899581 0.77 MAOB (0.49)
SCHEMBL3685687 0.77 MAOB (0.49)
SCHEMBL7906013 0.77 MAOB (0.49)
SCHEMBL3144588 0.76 CA1 (0.57) ALDH1A1GAAEEDCMA1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1095839-C 4,5-diaryl oxazole derivatives FUJISAWA PHARMACETICAL CO LTD (JP) 2002-12-11 CN disclosed
EP-0842161-B1 4,5-DIARYL OXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2002-09-18 EP disclosed
EP-1213285-A2 4,5-dipheny-oxazole derivatives and their use as platelet aggregation inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-12 EP disclosed
US-6300344-B1 FOR THERAPEUTIC AND/OR PROPHYLACTIC TREATMENT OF ARTERIAL OBSTRUCTION, CEREBROVASCULAR DISEASE, HEPATIC CIRRHOSIS, ARTERIOSCLEROSIS, ISCHEMIC HEART DISEASE, RESTENOSIS AFTER PERCUTANEOUS TRANSLUMINAL CORONARY ANGIOPLASTY, HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
US-5972965-A USEFUL FOR INHIBITION OF PLATELET AGGREGATION, VASODILATION, ANTIHYPERTENSIVE ACTIVITY AND PROSTAGLANDIN AGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed
CN-1196726-A 4,5-diaryl oxazole derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-21 CN disclosed
EP-0842161-A1 4,5-DIARYL OXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-20 EP disclosed
WO-1997003973-A1 4,5-DIARYL OXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 WO disclosed