SCHEMBL11484683

SCHEMBL11484683

CCCCCCCCCCCCCCOC(=O)n1cc(-c2ccccc2)nc1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
P2RY12 Q9H244 6/20 0.45
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CHRM2 P08172 6/20 0.42
CHRM4 P08173 6/20 0.42
CHRM5 P08912 6/20 0.42
CHRM1 P11229 6/20 0.42
CHRM3 P20309 6/20 0.42
BCHE P06276 1/20 0.42
TLR8 Q9NR97 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL29073030 0.79 TSHR (0.45) CNR2TSHRALDH1A1LMNATP53
SCHEMBL8744445 0.72 ASAH1 (0.62) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL29145161 0.72 ASAH1 (0.62) TSHRALDH1A1LMNATP53CYP3A4
Biphenyl SCHEMBL17473067 0.72 TSHR (0.62) CNR2TSHRALDH1A1LMNATP53
Biphenyl SCHEMBL28032462 0.72 TSHR (0.62) CNR2TSHRALDH1A1LMNATP53
Biphenyl SCHEMBL17473024 0.72 TSHR (0.62) CNR2TSHRALDH1A1LMNATP53
Biphenyl SCHEMBL17473030 0.72 TSHR (0.62) CNR2TSHRALDH1A1LMNATP53
SCHEMBL16057185 0.70 LMNA (0.53) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL14977311 0.70 LMNA (0.53) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL16058203 0.70 LMNA (0.53) TSHRALDH1A1LMNATP53CYP3A4

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-4183752-A DEVELOPMENT INHIBITOR RELEASING THIOETHERS AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1980-01-15 US disclosed