SCHEMBL7079588

SCHEMBL7079588

C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)C=C(O)[C@@]43C)[C@@H]1CC[C@H]2C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SHBG P04278 3/20 0.40
GPBAR1 Q8TDU6 2/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
SERPINA6 P08185 1/20 0.40
NR3C2 P08235 1/20 0.40
CYP3A4 P08684 1/20 0.40
AR P10275 1/20 0.40
CYP19A1 P11511 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MGAM O43451 1/20 0.40
AKR1B10 O60218 2/20 0.38
AKR1B1 P15121 2/20 0.38
FGF2 P09038 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL7083462 0.88 SHBG (0.38) SHBGGPBAR1NR3C1PGRSERPINA6
SCHEMBL7083460 0.88 SHBG (0.38) SHBGGPBAR1NR3C1PGRSERPINA6
SCHEMBL4942914 0.84 SHBG (0.46) SHBGGPBAR1NR3C1PGRSERPINA6
SCHEMBL7080063 0.79 FGF2 (0.37) SHBGGPBAR1NR3C1PGRSERPINA6
SCHEMBL7080060 0.79 FGF2 (0.37) SHBGGPBAR1NR3C1PGRSERPINA6
SCHEMBL7077619 0.77 AR (0.42) SHBGGPBAR1NR3C1PGRSERPINA6
SCHEMBL7079593 0.76 MBOAT4 (0.44) SHBGGPBAR1NR3C1PGRSERPINA6
SCHEMBL22558402 0.75 CYP19A1 (0.53) SHBGGPBAR1SERPINA6CYP3A4CYP19A1
SCHEMBL5697473 0.75 MBOAT4 (0.51) SHBGCYP19A1
SCHEMBL1570884 0.75 CYP19A1 (0.53) SHBGGPBAR1SERPINA6CYP3A4CYP19A1

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-1322660-A2 17ALPHA-FLUOROALKYL STEROIDS, METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS Schering AG (DE) 2003-07-02 EP disclosed
WO-2002026759-A2 17α FLUOROALKYL STEROIDS, METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS SCHERING AG (DE) 2002-04-04 WO disclosed