SCHEMBL6477979

SCHEMBL6477979

Cc1ccc(-c2ccc(O)cc2C=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
MAOA P21397 2/20 0.45
MIF P14174 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
HSD17B1 P14061 1/20 0.44
ESR2 Q92731 7/20 0.43
ESR1 P03372 6/20 0.43
ERN1 O75460 2/20 0.42
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39

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
SCHEMBL8011498 0.89 HSD17B10 (0.50) HSD17B1ESR2ESR1ERN1HSD17B10
SCHEMBL19153570 0.86 PELI1 (0.47) MAOBMAOAMIFCA12CA9
SCHEMBL7935346 0.85 SRC (0.44) MAOBMAOAERN1
SCHEMBL1958177 0.82 XDH (0.49) MAOBMAOAMIFCA12CA9
SCHEMBL1647333 0.81 ALOX5 (0.59) MAOBMAOAMIFCA12CA9
SCHEMBL1802222 0.81 CA12 (0.49) MAOBMAOACA12CA9ESR2
SCHEMBL19798261 0.81 TRIM24 (0.56) MAOBMAOAMIFESR2ESR1
SCHEMBL16863739 0.79 ESR2 (0.41) HSD17B1ESR2ESR1ERN1
SCHEMBL18873510 0.79 GPR84 (0.42) ESR2ESR1ERN1ACHEHSD17B10
SCHEMBL19257673 0.79 ESR2 (0.47) MAOBMAOACA12CA9HSD17B1

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-2005037756-A2 NOVEL METHODS FOR THE PREPARATION OF 4-[4-(4-METHOXYMETHOXY-4'-METHYL-BIPHENYL-2-YL)-BUT-3-ENE-(E)-1-YNYL]-BENZOIC ACID GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-04-28 WO claimed
WO-2005037756-A2 NOVEL METHODS FOR THE PREPARATION OF 4-[4-(4-METHOXYMETHOXY-4'-METHYL-BIPHENYL-2-YL)-BUT-3-ENE-(E)-1-YNYL]-BENZOIC ACID GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-04-28 WO disclosed