SCHEMBL7959964

SCHEMBL7959964

O=S(=O)(Oc1cccc(CC2CCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 13/20 0.68
PTGER4 P35408 6/20 0.62
PTGER3 P43115 2/20 0.62
PTGER1 P34995 1/20 0.59
FABP4 P15090 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGER2 P43116 1/20 0.38
PTGDR Q13258 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL7959962 1.00 PTGIR (0.68) PTGIRPTGER4PTGER3PTGER1FABP4
SCHEMBL7479534 0.95 PTGIR (0.69) PTGIRPTGER4PTGER3PTGER1FABP4
SCHEMBL7479528 0.95 PTGIR (0.69) PTGIRPTGER4PTGER3PTGER1FABP4
SCHEMBL7949627 0.95 PTGIR (0.69) PTGIRPTGER4PTGER3PTGER1FABP4
SCHEMBL7475683 0.88 PTGIR (0.62) PTGIRPTGER4PTGER3PTGER1FABP4
SCHEMBL8135350 0.86 PTGIR (0.60) PTGIRPTGER4PTGER3PTGER1FABP4
SCHEMBL8135347 0.86 PTGIR (0.60) PTGIRPTGER4PTGER3PTGER1FABP4
SCHEMBL7949692 0.85 PTGIR (0.72) PTGIRPTGER4PTGER3PTGER1FABP4
SCHEMBL8066610 0.85 PTGIR (0.72) PTGIRPTGER4PTGER3PTGER1FABP4
SCHEMBL8056718 0.85 PTGIR (0.72) PTGIRPTGER4PTGER3PTGER1FABP4

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