SCHEMBL6419672

SCHEMBL6419672

CC(C)(C)c1c(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc(-c2ccccc2)c(C(C)(C)C)c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
APP P05067 4/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
BLM P54132 1/20 0.45
CASP7 P55210 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43

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
SCHEMBL6419675 1.00 MAOB (0.47) MAOBCYSLTR2CYSLTR1APPABCG2
SCHEMBL6422106 0.89 MAOB (0.46) MAOBCYSLTR2CYSLTR1APPABCG2
SCHEMBL6422110 0.89 MAOB (0.46) MAOBCYSLTR2CYSLTR1APPABCG2
SCHEMBL6454585 0.80 PTGER1 (0.37) MAOBCYSLTR2CYSLTR1APPABCG2
SCHEMBL6454591 0.80 PTGER1 (0.37) MAOBCYSLTR2CYSLTR1APPABCG2
SCHEMBL1406530 0.78 TP53 (0.53) MAOBABCG2TP53CYP3A4MAPT
SCHEMBL1406757 0.78 MAOB (0.48) MAOBABCG2TP53CYP3A4MAPT
SCHEMBL1406756 0.78 TP53 (0.53) MAOBABCG2TP53CYP3A4MAPT
SCHEMBL1406578 0.78 MAOB (0.48) MAOBABCG2TP53CYP3A4MAPT
SCHEMBL1406700 0.77 TNFRSF1A (0.52) MAOBCYSLTR2CYSLTR1ABCG2TP53

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