SCHEMBL11221674

SCHEMBL11221674

CCCCCc1c(O)cc2ccccc2c1CCCCC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 1/20 0.46
NCEH1 Q6PIU2 1/20 0.45
TLR8 Q9NR97 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TRPM4 Q8TD43 1/20 0.44
CYP19A1 P11511 1/20 0.44

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
SCHEMBL30689889 0.95 HPGD (0.50) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL10976271 0.95 HPGD (0.50) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL10933274 0.89 ALOX5 (0.49) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL11225617 0.88 TRPM4 (0.48) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL299862 0.84 MAPT (0.53) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL6545326 0.83 HPGD (0.47) HPGDKDM4EALDH1A1HSD17B10GAA
SCHEMBL11024895 0.83 NCEH1 (0.45) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL16267503 0.82 MAPT (0.55) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL16267023 0.82 MAPT (0.55) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL5116260 0.82 MAPT (0.55) MAPTHPGDKDM4EALDH1A1HSD17B10

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
US-4323714-A Alkylation of hydroxy-substituted aromatic compounds UOP INC. (US) 1982-04-06 US disclosed