SCHEMBL7074964

SCHEMBL7074964

CC1=C[C@@]2(C)C(CC[C@@H]3[C@H]2CC[C@]2(C)C(C(F)(F)C(F)(F)F)CC[C@@H]32)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 2/20 0.43
FGF2 P09038 1/20 0.37
SHBG P04278 2/20 0.37
GPBAR1 Q8TDU6 2/20 0.37
AR P10275 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
CYP3A4 P08684 1/20 0.37
CYP19A1 P11511 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
PRKCA P17252 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
SCHEMBL7074961 1.00 MBOAT4 (0.43) MBOAT4FGF2SHBGGPBAR1AR
SCHEMBL7082956 0.91 MBOAT4 (0.45) MBOAT4FGF2SHBGGPBAR1AR
SCHEMBL7082952 0.91 MBOAT4 (0.45) MBOAT4FGF2SHBGGPBAR1AR
SCHEMBL7075051 0.81 AR (0.40) FGF2SHBGGPBAR1ARNR3C1
SCHEMBL7075052 0.81 AR (0.40) FGF2SHBGGPBAR1ARNR3C1
SCHEMBL7079593 0.81 MBOAT4 (0.44) MBOAT4FGF2SHBGGPBAR1AR
SCHEMBL4936801 0.81 CYP19A1 (0.57) MBOAT4SHBGGPBAR1ARNR3C1
SCHEMBL145680 0.81 CYP19A1 (0.57) MBOAT4SHBGGPBAR1ARNR3C1
SCHEMBL11332329 0.81 CYP19A1 (0.57) MBOAT4SHBGGPBAR1ARNR3C1
SCHEMBL11324207 0.79 MBOAT4 (0.46) MBOAT4SHBGGPBAR1ARNR3C1

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