SCHEMBL11280202

SCHEMBL11280202

CC(CCc1ccccc1)(CCc1ccccc1Cl)Cn1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.47
CYP11B2 P19099 6/20 0.47
CYP19A1 P11511 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 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 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP17A1 P05093 1/20 0.43

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
SCHEMBL11271904 0.92 CYP11B1 (0.46) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11280417 0.89 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11273140 0.86 CYP11B1 (0.52) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11280089 0.85 ALDH1A1 (0.47) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11277927 0.83 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11271593 0.83 ALDH1A1 (0.47) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11281514 0.82 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11280663 0.82 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11644832 0.82 CYP11B1 (0.43) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11640992 0.81 CYP19A1 (0.44) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4

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