SCHEMBL7489308

SCHEMBL7489308

COc1cccc(CC2CCCCCC2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA4 P22748 3/20 0.56
CA6 P23280 3/20 0.56
ALDH1A1 P00352 2/20 0.51
EED O75530 2/20 0.50
PTGS1 P23219 4/20 0.49
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.46
CMA1 P23946 1/20 0.46
GAA P10253 1/20 0.45
ROCK2 O75116 1/20 0.45
HTT P42858 2/20 0.44
HTR1A P08908 1/20 0.44
SLC6A4 P31645 1/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 2/20 0.44
PTGS2 P35354 3/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL30825568 1.00 CA1 (0.56) CA1CA2CA4CA6ALDH1A1
SCHEMBL29169543 1.00 CA1 (0.56) CA1CA2CA4CA6ALDH1A1
SCHEMBL7485547 1.00 CA1 (0.56) CA1CA2CA4CA6ALDH1A1
SCHEMBL30825624 1.00 CA1 (0.56) CA1CA2CA4CA6ALDH1A1
SCHEMBL8065454 0.99 CA1 (0.57) CA1CA2CA4CA6ALDH1A1
SCHEMBL8065224 0.99 CA1 (0.57) CA1CA2CA4CA6ALDH1A1
SCHEMBL3144588 0.99 CA1 (0.57) CA1CA2CA4CA6ALDH1A1
SCHEMBL8061389 0.94 EED (0.52) CA1CA2CA4CA6ALDH1A1
SCHEMBL11793578 0.85 CA1 (0.54) CA1CA2CA4CA6PTGS1
SCHEMBL19050086 0.84 EED (0.53) ALDH1A1EEDCMA1GAAROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117701516-A Alkene reductase, enzyme preparation, nucleic acid, expression vector, preparation method and application 河北工业大学 2024-03-15 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
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