SCHEMBL9623923

SCHEMBL9623923

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 14/20 0.37
ESR1 P03372 1/20 0.35
AR P10275 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP19A1 P11511 2/20 0.31
SRD5A1 P18405 4/20 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
SCHEMBL9623855 0.91 SRD5A2 (0.37) SRD5A2ESR1ARESR2CYP19A1
SCHEMBL9623709 0.91 ESR1 (0.37) SRD5A2ESR1ARESR2CYP19A1
SCHEMBL9623276 0.87 HIF1A (0.33) AR
SCHEMBL9623675 0.78 NR3C1 (0.33)
SCHEMBL9623848 0.78 SRD5A2 (0.44) SRD5A2ESR1ARESR2
SCHEMBL9623248 0.77 SHBG (0.54) ESR1ARCYP19A1
SCHEMBL9624018 0.77 POLB (0.52) CYP19A1
SCHEMBL3749381 0.72 SRD5A2 (0.39) SRD5A2ESR1ARESR2CYP19A1
SCHEMBL9806099 0.72 SHBG (0.56) ESR1ARESR2
SCHEMBL10898740 0.72 SHBG (0.56) ESR1ARESR2

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 5 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