SCHEMBL9623260

SCHEMBL9623260

C[C@]12CCC(=O)C=C1CCC1C3CC[C@](O)([C@H](Cl)[Si](C)(C)OC#N)[C@@]3(C)C[C@@H]3O[C@]132

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.56
NR3C1 P04150 5/20 0.41
AR P10275 4/20 0.41
PGR P06401 4/20 0.41
HSD17B10 Q99714 1/20 0.41
NR3C2 P08235 1/20 0.41
SHBG P04278 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.37
HRH1 P35367 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP17A1 P05093 1/20 0.36
CYP2C19 P33261 1/20 0.35
CYP3A4 P08684 2/20 0.35
USP2 O75604 1/20 0.35
CYP19A1 P11511 3/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 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
SCHEMBL9623139 0.87 ALDH1A1 (0.41) ALDH1A1MAPK1NR3C1ARPGR
SCHEMBL9623712 0.85 KDM4E (0.57) ALDH1A1MAPK1NR3C1ARPGR
SCHEMBL9624036 0.79 ALDH1A1 (0.66) ALDH1A1MAPK1NR3C1ARPGR
SCHEMBL9624037 0.79 ALDH1A1 (0.66) ALDH1A1MAPK1NR3C1ARPGR
SCHEMBL9623141 0.77 HIF1A (0.57) NR3C1ARPGRHSD17B10NR3C2
SCHEMBL9623247 0.77 SHBG (0.58) ALDH1A1MAPK1NR3C1ARPGR
SCHEMBL9623172 0.77 NR3C1 (0.53) ALDH1A1NR3C1ARPGRNR3C2
SCHEMBL9241562 0.77 NR3C1 (0.53) ALDH1A1NR3C1ARPGRNR3C2
SCHEMBL6387525 0.76 ALDH1A1 (0.70) ALDH1A1MAPK1NR3C1ARPGR
SCHEMBL9623066 0.76 CYP3A4 (0.41) ALDH1A1NR3C1ARPGRHSD17B10

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