SCHEMBL7964274

SCHEMBL7964274

Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1CC1CCCC=C1c1nc(-c2ccccc2)c(-c2ccccc2)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 9/20 0.54
PTGER4 P35408 5/20 0.54
PTGER1 P34995 1/20 0.54
PTGER3 P43115 1/20 0.53
PPARA Q07869 3/20 0.34
PPARD Q03181 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FABP4 P15090 1/20 0.33
PTGS2 P35354 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
PPARG P37231 2/20 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
SCHEMBL7489516 0.88 PTGER4 (0.56) PTGIRPTGER4PTGER1PTGER3PPARD
SCHEMBL7960526 0.87 PTGIR (0.60) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7959959 0.87 PTGIR (0.59) PTGIRPTGER4PTGER1PTGER3PPARA
SCHEMBL7479528 0.87 PTGIR (0.69) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7479534 0.87 PTGIR (0.69) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7949627 0.87 PTGIR (0.69) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL8551042 0.87 PTGIR (0.60) PTGIRPTGER4PTGER1PTGER3PPARA
SCHEMBL7475683 0.86 PTGIR (0.62) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7949681 0.86 PTGIR (0.58) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7960041 0.85 PTGER4 (0.56) PTGIRPTGER4PTGER1PTGER3KDM4E

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 1 patent. 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