SCHEMBL9623709

SCHEMBL9623709

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
AR P10275 1/20 0.37
ESR2 Q92731 1/20 0.37
SRD5A2 P31213 12/20 0.37
CYP19A1 P11511 4/20 0.31
SRD5A1 P18405 2/20 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) ESR1ARESR2SRD5A2CYP19A1
SCHEMBL9623923 0.91 SRD5A2 (0.37) ESR1ARESR2SRD5A2CYP19A1
SCHEMBL9623276 0.78 HIF1A (0.33) AR
SCHEMBL9623848 0.78 SRD5A2 (0.44) ESR1ARESR2SRD5A2
SCHEMBL9623162 0.77 SHBG (0.54) ESR1ARCYP19A1
SCHEMBL9623918 0.77 POLB (0.52) CYP19A1
SCHEMBL3749381 0.72 SRD5A2 (0.39) ESR1ARESR2SRD5A2CYP19A1
SCHEMBL9806099 0.72 SHBG (0.56) ESR1ARESR2
SCHEMBL10898740 0.72 SHBG (0.56) ESR1ARESR2
SCHEMBL3754980 0.72 ESR1 (0.37) ESR1ARESR2SRD5A2CYP19A1

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 4 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
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