SCHEMBL7797159

SCHEMBL7797159

C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CCOC(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.71
NR3C1 P04150 4/20 0.71
TDP1 Q9NUW8 3/20 0.71
LMNA P02545 2/20 0.71
PDE4D Q08499 1/20 0.71
CYP19A1 P11511 6/20 0.55
CYP3A4 P08684 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CHRM2 P08172 2/20 0.54
OPRK1 P41145 1/20 0.54
AR P10275 4/20 0.53
CHRM1 P11229 3/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP2C19 P33261 2/20 0.53
TBXA2R P21731 2/20 0.53
ADRA1A P35348 2/20 0.53
CYP2C9 P11712 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 2/20 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
Canrenoate SCHEMBL18775372 0.87 PGR (0.81) PGRNR3C1TDP1LMNAPDE4D
Canrenoate SCHEMBL3510075 0.87 PGR (0.81) PGRNR3C1TDP1LMNAPDE4D
Canrenoate SCHEMBL11341384 0.87 PGR (0.81) PGRNR3C1TDP1LMNAPDE4D
Canrenoate SCHEMBL636758 0.87 PGR (0.81) PGRNR3C1TDP1LMNAPDE4D
SCHEMBL10886334 0.87 PGR (0.69) PGRNR3C1TDP1LMNAPDE4D
SCHEMBL10891025 0.85 PGR (0.67) PGRNR3C1TDP1LMNAPDE4D
SCHEMBL11642998 0.85 PGR (0.67) PGRNR3C1TDP1LMNAPDE4D
SCHEMBL10890105 0.84 PGR (0.73) PGRNR3C1TDP1LMNAPDE4D
SCHEMBL11647042 0.84 PGR (0.73) PGRNR3C1TDP1LMNAPDE4D
SCHEMBL10890453 0.83 PGR (0.67) PGRNR3C1TDP1LMNAPDE4D

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-0863760-B1 USE OF ANTIMINERALOCORTICOID COMPOUNDS AGAINST DRUG WITHDRAWAL SYNDROME AVENTIS PHARMA SA (FR) 2001-12-05 EP claimed