SCHEMBL11241708

SCHEMBL11241708

Cc1cc(C)c(CC2(CCn3ccnc3)OCC(C)(C)CO2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KCNH2 Q12809 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
SCHEMBL11233199 0.89 CYP11B1 (0.52) CYP11B1CYP11B2KMT2AMEN1ALDH1A1
SCHEMBL11252441 0.89 CYP11B1 (0.47) CYP11B1CYP11B2KMT2AMEN1ALDH1A1
SCHEMBL11238541 0.88 ALDH1A1 (0.39) CYP11B1CYP11B2KMT2AMEN1ALDH1A1
SCHEMBL11246571 0.88 CYP11B1 (0.51) CYP11B1CYP11B2KMT2AMEN1ALDH1A1
SCHEMBL11248376 0.88 CYP11B1 (0.46) CYP11B1CYP11B2KMT2AMEN1ALDH1A1
SCHEMBL11243207 0.87 CYP11B1 (0.48) CYP11B1CYP11B2KMT2AMEN1ALDH1A1
SCHEMBL11231027 0.87 CYP11B1 (0.50) CYP11B1CYP11B2KMT2AMEN1ALDH1A1
SCHEMBL11260518 0.87 CYP11B1 (0.46) CYP11B1CYP11B2KCNH2
SCHEMBL11242164 0.85 POLB (0.42) CYP11B1CYP11B2KMT2AMEN1ALDH1A1
SCHEMBL11239107 0.82 CYP19A1 (0.48) CYP11B1CYP11B2KMT2A

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-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed