SCHEMBL7080063

SCHEMBL7080063

CC1=CC(=O)CC2CC[C@@H]3[C@@H](CC[C@]4(C)C(C(F)(F)C(F)(F)F)CC[C@@H]34)[C@@]12C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGF2 P09038 1/20 0.37
SHBG P04278 3/20 0.37
GPBAR1 Q8TDU6 2/20 0.37
CYP19A1 P11511 2/20 0.37
CYP3A4 P08684 2/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
SERPINA6 P08185 1/20 0.37
NR3C2 P08235 1/20 0.37
AR P10275 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MGAM O43451 1/20 0.37
AKR1B10 O60218 2/20 0.35
AKR1B1 P15121 2/20 0.35
MAPK1 P28482 2/20 0.34
POLB P06746 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GABRA1 P14867 1/20 0.33

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
SCHEMBL7080060 1.00 FGF2 (0.37) FGF2SHBGGPBAR1CYP19A1CYP3A4
SCHEMBL7083462 0.91 SHBG (0.38) FGF2SHBGGPBAR1CYP19A1CYP3A4
SCHEMBL7083460 0.91 SHBG (0.38) FGF2SHBGGPBAR1CYP19A1CYP3A4
SCHEMBL1650440 0.81 CYP19A1 (0.57) SHBGGPBAR1CYP19A1CYP3A4NR3C1
SCHEMBL21807748 0.81 CYP19A1 (0.57) SHBGGPBAR1CYP19A1CYP3A4NR3C1
SCHEMBL147012 0.81 CYP19A1 (0.57) SHBGGPBAR1CYP19A1CYP3A4NR3C1
SCHEMBL4442662 0.81 CYP19A1 (0.57) SHBGGPBAR1CYP19A1CYP3A4NR3C1
SCHEMBL28050394 0.81 CYP19A1 (0.57) SHBGGPBAR1CYP19A1CYP3A4NR3C1
SCHEMBL7075052 0.79 AR (0.40) FGF2SHBGGPBAR1CYP19A1CYP3A4
SCHEMBL7079588 0.79 SHBG (0.40) FGF2SHBGGPBAR1CYP19A1CYP3A4

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