SCHEMBL10489995

SCHEMBL10489995

C(=Cc1cccc(Cc2ccccc2)c1Cc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 4/20 0.43
▸ TRPA1 O75762 2/20 0.43
▸ INSR P06213 2/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ CALM1 P0DP23 1/20 0.37
▸ PTGER3 P43115 2/20 0.36
▸ PTGER2 P43116 2/20 0.36
▸ LCK P06239 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ CHAT P28329 1/20 0.36
▸ BCL2 P10415 1/20 0.36
▸ BCL2L1 Q07817 1/20 0.36
▸ CAPN1 P07384 1/20 0.36
▸ DHFR P00374 1/20 0.36
▸ TBXA2R P21731 1/20 0.35
▸ PTGDR Q13258 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35

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
SCHEMBL28667698 0.85 NFE2L2 (0.48) NFE2L2TRPA1HTR2ACALM1PTGER3
SCHEMBL28808528 0.81 TRPA1 (0.50) NFE2L2TRPA1PTGER3PTGER2PTGER4
SCHEMBL29153432 0.80 MEN1 (0.44) HTR2ACALM1PTGER3PTGER2BCL2
SCHEMBL19209982 0.79 PTGER3 (0.58) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL2957802 0.79 PTGER3 (0.36) HTR2ACALM1PTGER3PTGER2PTGER4
SCHEMBL28168750 0.79 HTR2A (0.40) HTR2ACALM1PTGER3PTGER2BCL2
SCHEMBL29781159 0.77 ADORA2A (0.43) NFE2L2TRPA1INSRHTR2APTGER3
SCHEMBL7735333 0.77 CALM1 (0.55) HTR2ACALM1BCL2BCL2L1
SCHEMBL5709420 0.75 CYP19A1 (0.41) NFE2L2TRPA1CALM1DHFRCYP19A1
SCHEMBL27522675 0.74 CYP19A1 (0.39) NFE2L2TRPA1INSRHTR2ALCK

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-4828369-A ELECTROLYTES, PLASMA POLYMERIZATION OF HYDROCARBON, ALKALI METAL /COMPOUND/, ELECTRONEGATIVITY MINOLTA CAMERA KABUSHIKI KAISHA (JP) 1989-05-09 — — US disclosed
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