SCHEMBL6423150

SCHEMBL6423150

Cc1ccc(-c2cc(C(=O)/C=C/c3ccc(C(=O)OC(/C=C/c4ccc(C(=O)O)cc4)c4cc(OCc5ccccc5)c(C(C)(C)C)c(-c5ccc(C)cc5)c4)cc3)cc(OCc3ccccc3)c2C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.39
MAOB P27338 3/20 0.39
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
AKR1C3 P42330 1/20 0.37
PTGER1 P34995 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
RXRA P19793 2/20 0.35
RXRB P28702 2/20 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
SCHEMBL6423156 0.90 TNFRSF1A (0.41) TNFRSF1AMAOBCYP3A4MAPTTP53
SCHEMBL1406757 0.89 MAOB (0.48) TNFRSF1AMAOBCYP3A4MAPTTP53
SCHEMBL1406578 0.89 MAOB (0.48) TNFRSF1AMAOBCYP3A4MAPTTP53
SCHEMBL6423154 0.87 MAOB (0.40) TNFRSF1AMAOBCYP3A4MAPTABCG2
SCHEMBL1406562 0.83 PTGER1 (0.44) SMN1; SMN2AKR1C3PTGER1RXRARXRB
SCHEMBL1406560 0.83 PTGER1 (0.44) SMN1; SMN2AKR1C3PTGER1RXRARXRB
SCHEMBL1406756 0.82 TP53 (0.53) TNFRSF1AMAOBCYP3A4MAPTTP53
SCHEMBL1406530 0.82 TP53 (0.53) TNFRSF1AMAOBCYP3A4MAPTTP53
SCHEMBL6454591 0.80 PTGER1 (0.37) TNFRSF1AMAOBABCG2AKR1C3PTGER1
SCHEMBL6454585 0.80 PTGER1 (0.37) TNFRSF1AMAOBABCG2AKR1C3PTGER1

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
EP-1513793-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP claimed
WO-2003101928-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 WO claimed