SCHEMBL9546243

SCHEMBL9546243

CCCCCC(O)/C=C/C1C=C(Sc2ccccc2)C(=O)/C1=C\CCCCCCCC(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.36
▸ NR4A2 P43354 2/20 0.36
▸ PTGIR P43119 1/20 0.36
▸ PRKCA P17252 6/20 0.35
▸ ABHD16A O95870 1/20 0.34
▸ PPARG P37231 2/20 0.34
▸ GPR132 Q9UNW8 1/20 0.34

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
SCHEMBL9546247 1.00 TRPA1 (0.36) TRPA1NR4A2PTGIRPRKCAABHD16A
SCHEMBL9546352 0.91 NR4A2 (0.45) TRPA1NR4A2PTGIRPPARGGPR132
SCHEMBL9546348 0.91 NR4A2 (0.45) TRPA1NR4A2PTGIRPPARGGPR132
SCHEMBL9546333 0.85 PRKCA (0.31) PRKCA
SCHEMBL9546316 0.84 NR4A2 (0.36) TRPA1NR4A2PTGIRPRKCAABHD16A
SCHEMBL9546322 0.84 NR4A2 (0.36) TRPA1NR4A2PTGIRPRKCAABHD16A
SCHEMBL9546196 0.83 PRKCA (0.36) TRPA1NR4A2PTGIRPRKCAABHD16A
SCHEMBL9546194 0.83 PRKCA (0.36) TRPA1NR4A2PTGIRPRKCAABHD16A
SCHEMBL10514313 0.81 PTGER4 (0.35) TRPA1NR4A2PTGIR
SCHEMBL9546263 0.79 PTGER3 (0.43) TRPA1NR4A2PTGIRABHD16APPARG

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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