SCHEMBL7959959

SCHEMBL7959959

Cc1ccc(CC2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 9/20 0.59
PTGER4 P35408 5/20 0.59
PTGER1 P34995 1/20 0.59
PTGER3 P43115 1/20 0.55
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
PTGS2 P35354 1/20 0.31
FABP4 P15090 2/20 0.31
FABP3 P05413 1/20 0.31

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
SCHEMBL7960526 0.88 PTGIR (0.60) PTGIRPTGER4PTGER1PTGER3DRD2
SCHEMBL7964274 0.87 PTGIR (0.54) PTGIRPTGER4PTGER1PTGER3PPARD
SCHEMBL7479528 0.87 PTGIR (0.69) PTGIRPTGER4PTGER1PTGER3DRD2
SCHEMBL7479534 0.87 PTGIR (0.69) PTGIRPTGER4PTGER1PTGER3DRD2
SCHEMBL7949627 0.87 PTGIR (0.69) PTGIRPTGER4PTGER1PTGER3DRD2
SCHEMBL7475683 0.87 PTGIR (0.62) PTGIRPTGER4PTGER1PTGER3DRD2
SCHEMBL7490153 0.87 PTGIR (0.64) PTGIRPTGER4PTGER1PTGER3PPARD
SCHEMBL7949681 0.86 PTGIR (0.58) PTGIRPTGER4PTGER1PTGER3PTGS2
SCHEMBL7960041 0.86 PTGER4 (0.56) PTGIRPTGER4PTGER1PTGER3DRD2
SCHEMBL7964160 0.85 PTGIR (0.54) PTGIRPTGER4PTGER1PTGER3DRD2

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