SCHEMBL5885587

SCHEMBL5885587

CC(C)COc1ccc(-c2cc(CCl)c(-c3ccc(OCC(C)C)c(OCC(C)C)c3)cc2CCl)cc1OCC(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
DHODH Q02127 2/20 0.41
XDH P47989 5/20 0.39
KDM1A O60341 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
FPR2 P25090 1/20 0.36
HIF1A Q16665 1/20 0.35
PDE4B Q07343 1/20 0.34
SLC22A12 Q96S37 1/20 0.34

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
SCHEMBL6858895 0.92 ALDH1A1 (0.42) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL2784823 0.92 ALDH1A1 (0.42) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL4331248 0.87 ALDH1A1 (0.43) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL5885519 0.87 TLR8 (0.37) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL5886030 0.84 ALDH1A1 (0.49) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL7137943 0.76 ALDH1A1 (0.43) ALDH1A1GAADHODHXDHFPR2
SCHEMBL5885086 0.76 TLR8 (0.34) ALDH1A1GAAPDE4B
SCHEMBL4723254 0.72 KDM1A (0.52) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL5885008 0.72 S1PR1 (0.37) ALDH1A1GAAMAPTDHODHPDE4B
SCHEMBL8723793 0.70 KDM4E (0.47) ALDH1A1MAPTTHRBPDE4B

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-7041388-B1 Substituted poly(arylene vinylenes), process for their preparation and their use in electroluminescent devices SEMICONDUCTORS GMBH (DE) 2006-05-09 US disclosed