SCHEMBL9874158

SCHEMBL9874158

CCC(=CN(C)C)C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.54
CYP11B2 P19099 6/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
PTPN1 P18031 2/20 0.42
GSK3B P49841 2/20 0.42
LSS P48449 1/20 0.42
SRD5A2 P31213 1/20 0.40
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL9468664 0.83 CES2 (0.58) CES2SRD5A2MAOB
SCHEMBL9468665 0.83 CES2 (0.58) CES2SRD5A2MAOB
SCHEMBL13729327 0.79 CES2 (0.53) CES2CES1
SCHEMBL6640583 0.77 CYP11B1 (0.56) CYP11B1CYP11B2CES2CES1NR4A1
SCHEMBL6640581 0.77 CYP11B1 (0.56) CYP11B1CYP11B2CES2CES1NR4A1
SCHEMBL3408557 0.76 NPSR1 (0.55) CYP11B1CYP11B2CES2CES1CYP1A1
SCHEMBL3408555 0.76 NPSR1 (0.55) CYP11B1CYP11B2CES2CES1CYP1A1
SCHEMBL9874152 0.74 LMNA (0.43) CYP11B1CYP11B2
SCHEMBL9874146 0.74 LMNA (0.43) CYP11B1CYP11B2
SCHEMBL17927021 0.73 CYP11B1 (0.51) CYP11B1CYP11B2CES2CES1NR4A1

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-5022915-A Substituted 2,4-diarylpyrimidines and their use as herbicides ICI AMERICAS INC. (US) 1991-06-11 US disclosed