SCHEMBL15580689

SCHEMBL15580689

Cn1c(=O)oc2cc([C@@H](O)C(F)(F)F)ccc21

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.68
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.44
GPR55 Q9Y2T6 1/20 0.43
PKM P14618 4/20 0.42
TSHR P16473 1/20 0.42
GFER P55789 1/20 0.41
POLB P06746 4/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL13183732 0.89 CYP11B2 (0.58) CYP11B2ALDH1A1HPGDKMT2AMEN1
SCHEMBL10238652 0.79 MEN1 (0.61) CYP11B2ALDH1A1HPGDKMT2AMEN1
SCHEMBL14565127 0.77 ALDH1A1 (0.57) CYP11B2ALDH1A1HPGDKMT2AMEN1
SCHEMBL14565128 0.76 PKM (0.52) CYP11B2ALDH1A1HPGDKMT2AMEN1
SCHEMBL14565111 0.75 CYP11B2 (0.50) CYP11B2ALDH1A1HPGDKMT2AMEN1
SCHEMBL782484 0.73 CYP11B2 (0.85) CYP11B2GPR55
SCHEMBL5539787 0.72 MEN1 (0.59) CYP11B2ALDH1A1HPGDKMT2AMEN1
SCHEMBL14565110 0.71 CYP11B2 (0.52) CYP11B2ALDH1A1HPGDKMT2AMEN1
SCHEMBL9463910 0.71 MAPK1 (0.52) CYP11B2ALDH1A1HPGDKMT2AMEN1
SCHEMBL9463794 0.70 MAPK1 (0.54) CYP11B2ALDH1A1HPGDKDM4EPKM

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-2411365-B1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-03-19 EP disclosed