SCHEMBL11273161

SCHEMBL11273161

CC(C)C(CCc1ccccc1)(CCc1ccc(Cl)cc1)Cn1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.49
CYP11B2 P19099 4/20 0.49
CYP19A1 P11511 2/20 0.49
CYP2A6 P11509 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
TBXAS1 P24557 1/20 0.47
QPCT Q16769 1/20 0.47
CYP4Z1 Q86W10 1/20 0.47
QPCTL Q9NXS2 1/20 0.47
CYP2C9 P11712 2/20 0.44
ALOX15 P16050 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL11273140 0.84 CYP11B1 (0.52) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL11280663 0.82 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL11273316 0.82 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL11281514 0.82 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL11282183 0.79 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL11277040 0.78 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL28304740 0.77 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL10769756 0.77 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL11639114 0.76 CYP2A6 (0.41) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL11639842 0.76 CYP19A1 (0.55) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6

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
EP-0064244-A1 Spermicidal 1-bis(arylalkyl)alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-11-10 EP disclosed