SCHEMBL7486281

SCHEMBL7486281

COc1ccccc1CC1CCCCC1=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA4 P22748 3/20 0.59
CA6 P23280 3/20 0.59
CYP2D6 P10635 1/20 0.49
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGS1 P23219 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL15874849 1.00 CA1 (0.59) CA1CA2CA4CA6CYP2D6
SCHEMBL11790684 0.99 CA1 (0.57) CA1CA2CA4CA6CYP2D6
SCHEMBL29169547 0.95 CA1 (0.53) CA1CA2CA4CA6CYP2D6
SCHEMBL29169527 0.95 CA1 (0.53) CA1CA2CA4CA6CYP2D6
SCHEMBL7493978 0.87 CA1 (0.55) CA1CA2CA4CA6CYP2D6
SCHEMBL11790076 0.86 CA1 (0.60) CA1CA2CA4CA6HCRTR1
SCHEMBL11793897 0.85 CA1 (0.53) CA1CA2CA4CA6SMN1; SMN2
SCHEMBL16745472 0.83 CYP2D6 (0.56) CYP2D6HPGDSMN1; SMN2USP2HSD17B10
SCHEMBL19050268 0.82 CA1 (0.58) CA1CA2CA4CA6KDM4E
SCHEMBL11792326 0.81 CA1 (0.57) CA1CA2CA4CA6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014109712-A1 PALLADIUM-CATALYZED ASYMMETRIC (HETERO)ARYLATION AND VINYLATION OF KETONE ENOLATES TO PRODUCE TERTIARY STEREOCENTERS AT ALPHA(α)-POSITION NANAYNG TECHNOLOGICAL UNIVERSITY (SG) 2014-07-17 WO 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-6245790-B1 ANTIINFLAMMATORY AGENTS; GASTROINTESTINAL DISORDERS; SKN DISORDERS; BONE DISORDERS; MUSCLE RELAXANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-12 US disclosed
EP-0989975-A1 OXAZOLE COMPOUNDS USEFUL AS PGE2 AGONISTS AND ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-05 EP disclosed
WO-2000016760-A2 NEW USE OF PROSTAGLANDIN E2 ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-30 WO 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
WO-1998055468-A1 OXAZOLE COMPOUNDS USEFUL AS PGE2 AGONISTS AND ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-10 WO 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