SCHEMBL7957353

SCHEMBL7957353

NC(=O)c1cccc(CC2=C(c3nc(-c4ccccc4)c(-c4ccccc4)o3)CCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 6/20 0.64
PTGER4 P35408 5/20 0.49
PTGER1 P34995 1/20 0.49
FABP4 P15090 2/20 0.40
NR4A2 P43354 5/20 0.39
GAA P10253 1/20 0.39
PTGER3 P43115 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATR Q13535 1/20 0.38
NR4A1 P22736 2/20 0.37
NR4A3 Q92570 2/20 0.37
ENPP2 Q13822 1/20 0.37

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
SCHEMBL7964792 0.92 PTGIR (0.66) PTGIRPTGER4PTGER1FABP4NR4A2
SCHEMBL7484083 0.85 PTGIR (0.58) PTGIRPTGER4PTGER1TBXA2RMAPK1
SCHEMBL8056766 0.85 PTGIR (0.64) PTGIRPTGER4PTGER1FABP4NR4A2
SCHEMBL7484312 0.83 PTGIR (0.61) PTGIRPTGER4PTGER1LMNATBXA2R
SCHEMBL27574285 0.83 PTGIR (0.56) PTGIRPTGER4PTGER1FABP4NR4A2
SCHEMBL9007045 0.83 PTGIR (0.66) PTGIRPTGER4PTGER1FABP4NR4A2
SCHEMBL8065447 0.82 PTGIR (0.82) PTGIRPTGER4PTGER1FABP4PTGER3
SCHEMBL9006762 0.82 PTGIR (0.71) PTGIRPTGER4PTGER1FABP4PTGER3
SCHEMBL9006753 0.81 PTGIR (0.69) PTGIRPTGER4PTGER1FABP4NR4A2
SCHEMBL8066060 0.80 PTGIR (0.68) PTGIRPTGER4PTGER1FABP4PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1998055468-A1 OXAZOLE COMPOUNDS USEFUL AS PGE2 AGONISTS AND ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-10 WO disclosed