SCHEMBL9623066

SCHEMBL9623066

C[C@H]1CC2C3CC[C@](O)([C@H](Cl)[Si](C)(C)OC#N)[C@@]3(C)C[C@@H]3O[C@]23[C@@]2(C)C=CC(=O)C=C12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.41
HIF1A Q16665 4/20 0.41
PGR P06401 3/20 0.41
NR1I2 O75469 2/20 0.41
NR3C1 P04150 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ABCC4 O15439 1/20 0.32
ABCB11 O95342 1/20 0.32
PDE4D Q08499 1/20 0.32
F2 P00734 1/20 0.32
AR P10275 1/20 0.32
CYP19A1 P11511 5/20 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
SCHEMBL9623712 0.85 KDM4E (0.57) CYP3A4HIF1APGRNR1I2NR3C1
SCHEMBL9623139 0.84 ALDH1A1 (0.41) CYP3A4HIF1APGRNR3C1LMNA
SCHEMBL9624264 0.80 CYP3A4 (0.47) CYP3A4HIF1APGRNR1I2NR3C1
SCHEMBL9623227 0.78 CYP3A4 (0.57) CYP3A4HIF1APGRNR1I2NR3C1
SCHEMBL9623677 0.76 NFKB1 (0.37) CYP3A4HIF1APGRNR1I2NR3C1
SCHEMBL11271558 0.76 HIF1A (0.67) CYP3A4HIF1APGRNR1I2NR3C1
SCHEMBL13069736 0.76 HIF1A (0.67) CYP3A4HIF1APGRNR1I2NR3C1
SCHEMBL3397721 0.76 HIF1A (0.67) CYP3A4HIF1APGRNR1I2NR3C1
SCHEMBL9623260 0.76 ALDH1A1 (0.56) CYP3A4HIF1APGRNR3C1LMNA
SCHEMBL9623600 0.74 HIF1A (0.55) CYP3A4HIF1APGRNR3C1LMNA

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