SCHEMBL9623680

SCHEMBL9623680

COC1=CC2=C(F)C[C@@H]3C(=CC[C@@]4(C)[C@H]3CC[C@]4(O)C#N)[C@@]2(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 12/20 0.37
PGR P06401 4/20 0.35
AR P10275 2/20 0.35
NR3C2 P08235 1/20 0.35
ABCB11 O95342 1/20 0.33
CYP19A1 P11511 1/20 0.31

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
SCHEMBL9623997 0.87 ABCB11 (0.36) NR3C1PGRARNR3C2ABCB11
SCHEMBL9623691 0.82 NR3C1 (0.39) NR3C1PGRARNR3C2ABCB11
SCHEMBL9623719 0.80 NR3C1 (0.32) NR3C1
SCHEMBL8746775 0.80 NR3C1 (0.35) NR3C1PGRARNR3C2ABCB11
SCHEMBL9624125 0.76 CYP19A1 (0.56) CYP19A1
SCHEMBL8940232 0.74 NR3C1 (0.60) NR3C1PGRARNR3C2CYP19A1
SCHEMBL9623805 0.74 NR3C1 (0.60) NR3C1PGRARNR3C2CYP19A1
SCHEMBL9623817 0.73 NR3C1 (0.42) NR3C1PGRARNR3C2ABCB11
SCHEMBL9623653 0.72 NR3C1 (0.42) NR3C1PGRARNR3C2ABCB11
SCHEMBL9623858 0.72 NR3C1 (0.35) NR3C1PGRARNR3C2ABCB11

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 6 patents. 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 disclosed
US-4977255-A Steroidal 17α-silyl ethers and process to corticoids and progesterones THE UPJOHN COMPANY (US) 1990-12-11 US disclosed
US-4921638-A 17β-cyano-9α,17α-dihydroxyandrost-4-en-3-one THE UPJOHN COMPANY (US) 1990-05-01 US disclosed
EP-0334875-A1 STEROIDAL 17$g(a)-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGGESTERONES THE UPJOHN COMPANY (US) 1989-10-04 EP disclosed
EP-0268400-A1 Steroidal 17alpha-silyl ethers and process to corticoids and progesterones THE UPJOHN COMPANY (US) 1988-05-25 EP disclosed
WO-1988003534-A1 STEROIDAL 17alpha-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGGESTERONES THE UPJOHN COMPANY (US) 1988-05-19 WO disclosed