SCHEMBL5289641

SCHEMBL5289641

CC(C)=NN=c1scc(C(=O)O)n1C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GFER P55789 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GPR35 Q9HC97 2/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL4616458 0.77 ALDH1A1 (0.37) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL4616455 0.77 ALDH1A1 (0.37) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL5280929 0.71
SCHEMBL5280933 0.71
SCHEMBL5283764 0.71 SMN1; SMN2 (0.43) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL7172236 0.67 HSD17B10 (0.37) ALDH1A1SMN1; SMN2GFERHSD17B10GPR35
SCHEMBL5284067 0.67 MAPT (0.42) ALDH1A1TP53SMN1; SMN2HSD17B10
SCHEMBL5278421 0.66 MAPT (0.39) ALDH1A1TP53SMN1; SMN2
SCHEMBL5278424 0.66 MAPT (0.39) ALDH1A1TP53SMN1; SMN2
SCHEMBL5284373 0.64 MAPT (0.43) NPC1RAB9ASMN1; SMN2

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
EP-1599178-B1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2007-12-19 EP claimed