SCHEMBL20045124

SCHEMBL20045124

C=Cc1ccc(-c2ccc(C(CCc3ccc(C=C)cc3C)OO)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.34
TRPA1 O75762 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
SCHEMBL20045121 0.85 PTGS2 (0.32) PTGS2
SCHEMBL102857 0.80 MMP12 (0.35) PTGS2
SCHEMBL20045123 0.80 PTGS2 (0.30) PTGS2
SCHEMBL103180 0.75 PTGS2 (0.38) PTGS2TRPA1
SCHEMBL20045127 0.72
SCHEMBL12226964 0.70 TP53 (0.38) PTGS2TRPA1
SCHEMBL20045122 0.69 CHRNB2 (0.40) PTGS2
SCHEMBL16952356 0.68 TP53 (0.39) PTGS2TRPA1
SCHEMBL15505282 0.68 TRPA1 (0.34) TRPA1
SCHEMBL15505283 0.67 TAS1R3 (0.31) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180100105-A1 ANISOTROPIC SCATTERING FILM DIC CORPORATION (JP) 2018-04-12 US disclosed