SCHEMBL7488949

SCHEMBL7488949

COc1cccc(CC2C(=O)C3CCC2C3)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
EED O75530 2/20 0.45
CMA1 P23946 1/20 0.43
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
HTR1A P08908 1/20 0.43
SLC6A4 P31645 1/20 0.43
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
TAAR1 Q96RJ0 3/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL19050086 0.73 EED (0.53) ALDH1A1EEDCMA1IDO1AGXT
SCHEMBL27730804 0.72 EED (0.66) ALDH1A1EEDIDO1AGXTHTR1A
SCHEMBL11306998 0.70 CYP3A4 (0.63) ALDH1A1EEDCMA1HTR1ASLC6A4
SCHEMBL11398133 0.70 CYP3A4 (0.63) ALDH1A1EEDCMA1HTR1ASLC6A4
SCHEMBL6830898 0.70 CYP3A4 (0.63) ALDH1A1EEDCMA1HTR1ASLC6A4
SCHEMBL11306995 0.70 CYP3A4 (0.63) ALDH1A1EEDCMA1HTR1ASLC6A4
SCHEMBL11398135 0.70 CYP3A4 (0.63) ALDH1A1EEDCMA1HTR1ASLC6A4
SCHEMBL11306993 0.70 CYP3A4 (0.63) ALDH1A1EEDCMA1HTR1ASLC6A4
SCHEMBL8061389 0.70 EED (0.52) ALDH1A1EEDCMA1HTR1ASLC6A4
SCHEMBL25698257 0.69 EED (0.71) ALDH1A1EEDIDO1AGXTHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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