SCHEMBL4776331

SCHEMBL4776331

O=[C]c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.57
PLA2G10 O15496 1/20 0.47
PLA2G2A P14555 1/20 0.47
LMNA P02545 1/20 0.47
LTA4H P09960 4/20 0.45
IDH1 O75874 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HNF4A P41235 1/20 0.41
FFAR1 O14842 3/20 0.41
SLC22A2 O15244 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38

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
SCHEMBL3079477 0.88 CA12 (0.47) CALM1PLA2G10PLA2G2ALMNALTA4H
SCHEMBL5150258 0.86 FFAR1 (0.50) FFAR1FFAR4
SCHEMBL6807724 0.80 CALM1 (0.50) CALM1PLA2G10PLA2G2ALMNALTA4H
SCHEMBL2323596 0.80 BCHE (0.53) CA1CA2
SCHEMBL10932736 0.80 CALM1 (0.63) CALM1PLA2G10PLA2G2ALMNALTA4H
SCHEMBL8094422 0.79 CALM1 (0.92) CALM1PLA2G10PLA2G2ALMNALTA4H
SCHEMBL972712 0.79 CALM1 (0.92) CALM1PLA2G10PLA2G2ALMNALTA4H
SCHEMBL27462691 0.78 CALM1 (0.60) CALM1PLA2G10PLA2G2ALMNALTA4H
SCHEMBL6069559 0.78 CALM1 (0.60) CALM1PLA2G10PLA2G2ALMNALTA4H
Diphenylmethane SCHEMBL333766 0.77 CALM1 (0.67) CALM1PLA2G10PLA2G2ALMNALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO claimed
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO disclosed