SCHEMBL9623677

SCHEMBL9623677

C[C@H]1CC2C(=CC[C@@]3(C)C2CC[C@]3(O)[C@H](Cl)[Si](C)(C)OC#N)[C@@]2(C)C=CC(=O)C=C12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
KCNH2 Q12809 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
CYP19A1 P11511 5/20 0.34
CYP3A4 P08684 5/20 0.32
HIF1A Q16665 4/20 0.32
PGR P06401 3/20 0.32
NR1I2 O75469 2/20 0.32
NR3C1 P04150 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ABCC4 O15439 1/20 0.31
ABCB11 O95342 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
SCHEMBL9623126 0.86 NFKB1 (0.48) NFKB1NFKB2RELAKCNH2FNTA
SCHEMBL9623540 0.85 NR3C1 (0.39) CYP19A1CYP3A4HIF1APGRNR3C1
SCHEMBL9623832 0.85 NR3C1 (0.39) CYP19A1CYP3A4HIF1APGRNR3C1
SCHEMBL9623854 0.81 NFKB1 (0.33) NFKB1NFKB2RELAKCNH2FNTA
SCHEMBL9623846 0.79 NFKB1 (0.42) NFKB1NFKB2RELAKCNH2FNTA
SCHEMBL12265813 0.78 NFKB1 (0.46) NFKB1NFKB2RELAKCNH2FNTA
SCHEMBL9623073 0.78 NR3C1 (0.39) CYP19A1PGRNR3C1AR
SCHEMBL9623227 0.76 CYP3A4 (0.57) CYP19A1CYP3A4HIF1APGRNR1I2
SCHEMBL9623066 0.76 CYP3A4 (0.41) CYP19A1CYP3A4HIF1APGRNR1I2
SCHEMBL9241562 0.76 NR3C1 (0.53) CYP19A1PGRNR3C1ALDH1A1AR

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