SCHEMBL2636688

SCHEMBL2636688

O=C(Cl)OC1C2CC3CC1CC(C(=O)OCI)(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
PRKCA P17252 1/20 0.38
CYP17A1 P05093 2/20 0.37
CYP19A1 P11511 2/20 0.37
HSD11B1 P28845 3/20 0.35
PKM P14618 1/20 0.35
ATM Q13315 1/20 0.34
GAA P10253 1/20 0.34
SCN9A Q15858 2/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL1036632 0.81 HSD11B1 (0.48) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL17188550 0.81 HSD11B1 (0.48) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL6895298 0.81 ALDH1A1 (0.54) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL12791867 0.76 HSD11B1 (0.36) HSD11B1SCN9A
SCHEMBL12791748 0.76 HSD11B1 (0.36) HSD11B1SCN9A
SCHEMBL18467244 0.73 PRKCA (0.44) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL15432440 0.73 LMNA (0.42) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL17050923 0.71 HSD11B1 (0.39) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL2636721 0.71 HSD11B1 (0.44) HSD11B1
SCHEMBL12791827 0.71 HSD11B1 (0.44) HSD11B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438043-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2012-04-11 EP disclosed
WO-2010141424-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed