SCHEMBL6447130

SCHEMBL6447130

CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C(O)C[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.61
LMNA P02545 6/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
PGR P06401 6/20 0.56
NR3C1 P04150 6/20 0.56
CYP3A4 P08684 5/20 0.56
AR P10275 5/20 0.56
NPSR1 Q6W5P4 4/20 0.56
ABCB11 O95342 2/20 0.56
SHBG P04278 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CHRM2 P08172 2/20 0.56
CHRM1 P11229 2/20 0.56
USP2 O75604 2/20 0.56
ABCC4 O15439 1/20 0.56
ESR1 P03372 1/20 0.56
NR3C2 P08235 1/20 0.56
HRH2 P25021 1/20 0.56
AKR1C3 P42330 1/20 0.56
AKR1C2 P52895 1/20 0.56

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
SCHEMBL2823016 0.88 LMNA (0.56) CYP19A1LMNASMN1; SMN2PGRNR3C1
SCHEMBL27048175 0.84 SMN1; SMN2 (0.74) LMNASMN1; SMN2PGRNR3C1CYP3A4
SCHEMBL13941349 0.84 SMN1; SMN2 (0.74) LMNASMN1; SMN2PGRNR3C1CYP3A4
SCHEMBL260023 0.84 SMN1; SMN2 (0.74) LMNASMN1; SMN2PGRNR3C1CYP3A4
SCHEMBL12666930 0.84 SMN1; SMN2 (0.74) LMNASMN1; SMN2PGRNR3C1CYP3A4
SCHEMBL260024 0.84 SMN1; SMN2 (0.74) LMNASMN1; SMN2PGRNR3C1CYP3A4
SCHEMBL29766827 0.84 SMN1; SMN2 (0.74) LMNASMN1; SMN2PGRNR3C1CYP3A4
SCHEMBL15270949 0.82 CYP19A1 (0.56) CYP19A1LMNASMN1; SMN2PGRNR3C1
SCHEMBL11020428 0.81 AR (0.61) CYP19A1LMNASMN1; SMN2PGRNR3C1
SCHEMBL11022317 0.81 CYP19A1 (0.56) CYP19A1LMNASMN1; SMN2PGRNR3C1

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-1501858-A2 FURTHER SYNTHESES OF CYPROTERONE ACETATE BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 2005-02-02 EP claimed
WO-2003092578-A2 FURTHER SYNTHESES OF CYPROTERONE ACETATE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-11-13 WO claimed