SCHEMBL9623647

SCHEMBL9623647

C[C@]12C=CC(=O)C=C1CCC1C2[C@@H](O)C[C@@]2(C)C1CC[C@]2(O)[C@H](Cl)[Si](C)(C)OC#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.56
PGR P06401 7/20 0.56
HIF1A Q16665 5/20 0.56
HSD17B10 Q99714 2/20 0.56
ABCB11 O95342 2/20 0.56
CYP3A4 P08684 2/20 0.56
TNF P01375 1/20 0.56
IL6 P05231 1/20 0.56
SERPINA6 P08185 1/20 0.56
NR3C2 P08235 1/20 0.56
AR P10275 1/20 0.56
GLUL P15104 1/20 0.56
ADAM17 P78536 1/20 0.56
GPBAR1 Q8TDU6 1/20 0.56
CYP2C19 P33261 1/20 0.56
NR1I2 O75469 2/20 0.50
ABCC3 O15438 1/20 0.50
LMNA P02545 3/20 0.49
USP2 O75604 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL9623227 0.85 CYP3A4 (0.57) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL9623141 0.84 HIF1A (0.57) NR3C1PGRHIF1AHSD17B10CYP3A4
SCHEMBL9623686 0.84 HSD17B10 (0.55) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL10526554 0.80 NR3C1 (0.66) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL9487586 0.80 NR3C1 (0.66) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL24397696 0.80 NR3C1 (0.69) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL9015081 0.80 NR3C1 (0.66) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL8859759 0.80 NR3C1 (0.69) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL8859765 0.80 NR3C1 (0.69) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL10614309 0.80 NR3C1 (0.69) NR3C1PGRHIF1AHSD17B10ABCB11

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