SCHEMBL9623997

SCHEMBL9623997

C[C@]12CCC(O)=CC1=C(F)C[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@]2(O)C#N

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.36
NR3C1 P04150 3/20 0.33
AR P10275 2/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP19A1 P11511 1/20 0.30

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
SCHEMBL9623680 0.87 NR3C1 (0.37) ABCB11NR3C1ARPGRNR3C2
SCHEMBL9623603 0.81 ABCB11 (0.38) ABCB11NR3C1ARPGRNR3C2
SCHEMBL8746775 0.74 NR3C1 (0.35) ABCB11NR3C1ARPGRNR3C2
SCHEMBL9623817 0.73 NR3C1 (0.42) ABCB11NR3C1ARPGRNR3C2
SCHEMBL9623872 0.73 NR3C1 (0.45) ABCB11NR3C1ARPGRNR3C2
SCHEMBL9623805 0.72 NR3C1 (0.60) NR3C1ARPGRNR3C2ESR1
SCHEMBL8940232 0.72 NR3C1 (0.60) NR3C1ARPGRNR3C2ESR1
SCHEMBL9624281 0.71 NR3C1 (0.43) ABCB11NR3C1ARPGRNR3C2
SCHEMBL9623691 0.70 NR3C1 (0.39) ABCB11NR3C1ARPGRNR3C2
SCHEMBL9622893 0.70 NR3C1 (0.41) ABCB11NR3C1ARPGRNR3C2

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-0268400-B1 STEROIDAL 17ALPHA-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGESTERONES THE UPJOHN COMPANY (US) 1992-04-29 EP claimed