SCHEMBL9546194

SCHEMBL9546194

CCCCCC(O)/C=C/C1C=C([S+]([O-])c2ccccc2)C(=O)/C1=C\CCCCCCCC(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 5/20 0.36
▸ TRPA1 O75762 2/20 0.36
▸ NR4A2 P43354 2/20 0.36
▸ ABHD16A O95870 1/20 0.34
▸ PTGIR P43119 1/20 0.34
▸ PTGER4 P35408 4/20 0.33
▸ PTGER2 P43116 3/20 0.33
▸ PTGER3 P43115 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL9546196 1.00 PRKCA (0.36) PRKCATRPA1NR4A2ABHD16APTGIR
SCHEMBL9546322 0.83 NR4A2 (0.36) PRKCATRPA1NR4A2ABHD16APTGIR
SCHEMBL9546316 0.83 NR4A2 (0.36) PRKCATRPA1NR4A2ABHD16APTGIR
SCHEMBL9546247 0.83 TRPA1 (0.36) PRKCATRPA1NR4A2ABHD16APTGIR
SCHEMBL9546243 0.83 TRPA1 (0.36) PRKCATRPA1NR4A2ABHD16APTGIR
SCHEMBL9546182 0.81 PTGER3 (0.43) TRPA1NR4A2ABHD16APTGER4PTGER2
SCHEMBL9546181 0.81 PTGER3 (0.43) TRPA1NR4A2ABHD16APTGER4PTGER2
SCHEMBL9546402 0.80 PTGER3 (0.42) TRPA1NR4A2ABHD16APTGER4PTGER2
SCHEMBL9546406 0.80 PTGER3 (0.42) TRPA1NR4A2ABHD16APTGER4PTGER2
SCHEMBL9546352 0.73 NR4A2 (0.45) TRPA1NR4A2PTGIRPTGER4PTGER2

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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