SCHEMBL8701680

SCHEMBL8701680

O=C(O)CCc1ccccc1CC1=C(CO)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.44
FFAR1 O14842 11/20 0.42
PTGER1 P34995 2/20 0.41
PTGER4 P35408 2/20 0.41
PTGER3 P43115 2/20 0.41
PTGER2 P43116 2/20 0.41
KEAP1 Q14145 1/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
FFAR4 Q5NUL3 3/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL9566213 0.84 TBXA2R (0.43) TBXA2RFFAR1PTGER1PTGER4PTGER3
SCHEMBL9566289 0.81 TBXA2R (0.42) TBXA2RFFAR1PTGER1PTGER4PTGER3
SCHEMBL9566135 0.79 CYP4F2 (0.53) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3728799 0.76 CYP4F2 (0.58) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL59198 0.76 KEAP1 (0.65) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL9566280 0.74 TBXA2R (0.38) TBXA2RFFAR1PTGER1PTGER4PTGER3
SCHEMBL27458277 0.73 KEAP1 (0.63) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL8573204 0.73 KEAP1 (0.56) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL11633504 0.70 FFAR1 (0.51) TBXA2RFFAR1KEAP1FFAR4
SCHEMBL9173189 0.70 FFAR1 (0.53) FFAR1PTGER1PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827868-A Prostaglandin analogs E. R. SQUIBB & SONS, INC. (US) 1998-10-27 US disclosed
EP-0536713-A1 Oxazole and imidazole derivatives as prostaglandin analogs E.R. SQUIBB & SONS, INC. (US) 1993-04-14 EP disclosed