SCHEMBL16257971

SCHEMBL16257971

CCc1c(C)c(C)c(Cn2ccnc2)c(C)c1C

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.82
CYP11B2 P19099 12/20 0.82
CYP19A1 P11511 5/20 0.51
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
TBXAS1 P24557 1/20 0.46
QPCT Q16769 1/20 0.46
CYP4Z1 Q86W10 1/20 0.46
QPCTL Q9NXS2 1/20 0.46
CYP2A6 P11509 1/20 0.44
CYP2B6 P20813 1/20 0.44
TSHR P16473 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
SCHEMBL395505 0.92 CYP11B1 (0.96) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL28975968 0.90 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL15722807 0.88 CYP11B1 (0.88) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL10030556 0.85 CYP11B1 (0.82) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL23045676 0.80 CYP11B1 (0.73) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL13105237 0.80 CYP11B1 (0.72) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL16672961 0.78 CYP11B1 (0.74) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL5489431 0.76 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL16067094 0.75 CYP11B1 (0.66) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL11084608 0.74 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP1A2POLB

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-2067774-B1 PERCHLORIC ACID ION TRAPPING AGENT UNIV SHIZUOKA NAT UNIV CORP (JP) 2014-11-26 EP disclosed