SCHEMBL9546191

SCHEMBL9546191

COC(=O)CCCC#C/C=C1\C(=O)C([S+]([O-])c2ccccc2)=CC1/C=C/C(O)C1CCCC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ ITGB1 P05556 1/20 0.30
▸ ITGA4 P13612 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
SCHEMBL9546192 1.00 PTGER4 (0.31) PTGER4PPARGPPARAITGB1ITGA4
SCHEMBL9546152 0.88 LTB4R (0.34) PTGER4ITGB1ITGA4
SCHEMBL9546149 0.88 LTB4R (0.34) PTGER4ITGB1ITGA4
SCHEMBL9546169 0.86 PTGER4 (0.32) PTGER4
SCHEMBL9546171 0.86 PTGER4 (0.32) PTGER4
SCHEMBL9546239 0.84 NQO2 (0.32) PPARGPPARA
SCHEMBL9546291 0.84 ITGB1 (0.32) PTGER4PPARGPPARAITGB1ITGA4
SCHEMBL9546283 0.84 ITGB1 (0.32) PTGER4PPARGPPARAITGB1ITGA4
SCHEMBL9546162 0.84 PPARG (0.31) PTGER4PPARGPPARA
SCHEMBL9546164 0.84 PPARG (0.31) PTGER4PPARGPPARA

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 3 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
EP-0338796-A2 2-Substituted-2-cyclopentenones TEIJIN LIMITED (JP) 1989-10-25 — — EP disclosed
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