SCHEMBL11289046

SCHEMBL11289046

CCC1CC(c2ccc(Cl)cc2)(c2ncc[nH]2)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.34
HSD11B2 P80365 1/20 0.34
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
EGFR P00533 1/20 0.30
INSR P06213 1/20 0.30
IGF1R P08069 1/20 0.30
PDGFRB P09619 1/20 0.30
KIT P10721 1/20 0.30
FGFR1 P11362 1/20 0.30
SRC P12931 1/20 0.30
PDGFRA P16234 1/20 0.30
FLT1 P17948 1/20 0.30
EPHA2 P29317 1/20 0.30

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
SCHEMBL10925445 0.88 HTR7 (0.40) MEN1CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL577007 0.70 HTR7 (0.51) KCNH2HTR7
SCHEMBL10360942 0.70 HSD11B1 (0.35) HSD11B1CYP3A4TSHRTAAR1KCNH2
SCHEMBL576676 0.69 HTR7 (0.52) MEN1TSHRKMT2AHTR7
SCHEMBL10360978 0.68 TAAR1 (0.36) CYP2D6CYP2C19TAAR1HTR7
SCHEMBL10360827 0.66 HMOX1 (0.35) TSHR
SCHEMBL9458345 0.65 HSD11B1 (0.38) HSD11B1MEN1CYP3A4CYP2D6CYP2C9
SCHEMBL11289335 0.65 HTR7 (0.40) MEN1TSHRKMT2AHTR7
SCHEMBL11201668 0.64 TAAR1 (0.37) HSD11B1TAAR1KCNH2FFAR2
SCHEMBL11068772 0.60 TAAR1 (0.38) HSD11B1TAAR1KCNH2

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-0061910-A2 Novel substituted imidazoles and triazoles, fungicidal compositions containing them, the use thereof for combating fungi and processes for the preparation of intermediates for making the imidazoles and triazoles ROHM AND HAAS COMPANY (US) 1982-10-06 EP disclosed