SCHEMBL11238541

SCHEMBL11238541

Cc1cc(C)c(C)c(CC2(CCn3ccnc3)OCC(C)(C)CO2)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
KMT2A Q03164 3/20 0.36
CYP4F2 P78329 1/20 0.35
MAPK1 P28482 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
CYP19A1 P11511 1/20 0.34
KCNH2 Q12809 1/20 0.34
PRKCI P41743 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 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
SCHEMBL11260518 0.92 CYP11B1 (0.46) CYP11B1CYP11B2CYP4F2KCNH2PRKCI
SCHEMBL11239249 0.89 HMOX1 (0.41) ALDH1A1KDM4ECYP11B1CYP11B2KMT2A
SCHEMBL11235766 0.89 ALDH1A1 (0.37) ALDH1A1KDM4ECYP11B1CYP11B2KMT2A
SCHEMBL11241708 0.88 CYP11B1 (0.49) ALDH1A1KDM4ECYP11B1CYP11B2KMT2A
SCHEMBL11249818 0.88 CYP11B1 (0.39) CYP11B1CYP11B2
SCHEMBL11246523 0.88 ALDH1A1 (0.37) ALDH1A1KDM4ECYP11B1CYP11B2KMT2A
SCHEMBL11246479 0.87 ALDH1A1 (0.39) ALDH1A1KDM4ECYP11B1CYP11B2KMT2A
SCHEMBL11243207 0.82 CYP11B1 (0.48) ALDH1A1KDM4ECYP11B1CYP11B2KMT2A
SCHEMBL11238164 0.81 HMOX1 (0.46)
SCHEMBL11242164 0.81 POLB (0.42) ALDH1A1KDM4ECYP11B1CYP11B2KMT2A

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