SCHEMBL9623638

SCHEMBL9623638

C[C@]12CCC(=O)C=C1CCC1C2=CC[C@@]2(C)C1CC[C@]2(O)[C@H](Br)[Si](C)(C)OC#N

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.53
CYP19A1 P11511 11/20 0.48
AR P10275 2/20 0.41
PGR P06401 2/20 0.41
NR3C2 P08235 1/20 0.41
CYP17A1 P05093 3/20 0.37
ALDH1A1 P00352 1/20 0.33
SHBG P04278 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 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
SCHEMBL9623172 0.91 NR3C1 (0.53) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL9241562 0.91 NR3C1 (0.53) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL9623714 0.82 NR3C1 (0.50) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL9623195 0.80 NR3C1 (0.53) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL10902004 0.78 NR3C1 (0.66) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL10901999 0.78 NR3C1 (0.66) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL8940232 0.78 NR3C1 (0.60) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL9623805 0.78 NR3C1 (0.60) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL3098850 0.77 NR3C1 (0.58) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL9623832 0.77 NR3C1 (0.39) NR3C1CYP19A1ARPGRNR3C2

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 11 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 claimed
US-4977255-A Steroidal 17α-silyl ethers and process to corticoids and progesterones THE UPJOHN COMPANY (US) 1990-12-11 US claimed
EP-0334875-A1 STEROIDAL 17$g(a)-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGGESTERONES THE UPJOHN COMPANY (US) 1989-10-04 EP claimed
EP-0268400-A1 Steroidal 17alpha-silyl ethers and process to corticoids and progesterones THE UPJOHN COMPANY (US) 1988-05-25 EP claimed
WO-1988003534-A1 STEROIDAL 17alpha-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGGESTERONES THE UPJOHN COMPANY (US) 1988-05-19 WO claimed
EP-0268400-B1 STEROIDAL 17ALPHA-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGESTERONES THE UPJOHN COMPANY (US) 1992-04-29 EP disclosed
US-4977255-A Steroidal 17α-silyl ethers and process to corticoids and progesterones THE UPJOHN COMPANY (US) 1990-12-11 US disclosed
US-4921638-A 17β-cyano-9α,17α-dihydroxyandrost-4-en-3-one THE UPJOHN COMPANY (US) 1990-05-01 US disclosed
EP-0334875-A1 STEROIDAL 17$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