SCHEMBL9546162

SCHEMBL9546162

COC(=O)CCCC#C/C=C1\C(=O)C(Sc2ccccc2)=CC1/C=C/C(O)C1CCCC1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ PTGER4 P35408 2/20 0.30
▸ LTB4R Q15722 1/20 0.30
▸ LTB4R2 Q9NPC1 1/20 0.30
▸ PTGER3 P43115 1/20 0.30

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
SCHEMBL9546164 1.00 PPARG (0.31) PPARGPPARAPTGER4LTB4RLTB4R2
SCHEMBL9546353 0.87 LTB4R (0.35) PTGER4LTB4RLTB4R2PTGER3
SCHEMBL9546349 0.87 LTB4R (0.35) PTGER4LTB4RLTB4R2PTGER3
SCHEMBL9546142 0.86 PTGER4 (0.32) PTGER4PTGER3
SCHEMBL9546140 0.86 PTGER4 (0.32) PTGER4PTGER3
SCHEMBL9546177 0.85 PPARG (0.32) PPARGPPARA
SCHEMBL9546291 0.84 ITGB1 (0.32) PPARGPPARAPTGER4PTGER3
SCHEMBL9546283 0.84 ITGB1 (0.32) PPARGPPARAPTGER4PTGER3
SCHEMBL9546191 0.84 PTGER4 (0.31) PPARGPPARAPTGER4
SCHEMBL9546192 0.84 PTGER4 (0.31) PPARGPPARAPTGER4

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
EP-0338796-B1 2-SUBSTITUTED-2-CYCLOPENTENONES TEIJIN LIMITED (JP) 1993-03-10 — — EP disclosed
US-5116869-A Antitumor Agents, Bone Formation Accelerator TEIJIN LIMITED (JP) 1992-05-26 — — US disclosed
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