SCHEMBL9623600

SCHEMBL9623600

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.55
CYP3A4 P08684 7/20 0.55
LMNA P02545 4/20 0.55
ALDH1A1 P00352 1/20 0.55
NR3C1 P04150 7/20 0.51
HSD17B10 Q99714 4/20 0.50
CYP2C9 P11712 3/20 0.50
PGR P06401 3/20 0.50
NFKB1 P19838 3/20 0.50
PMP22 Q01453 2/20 0.50
CYP2J2 P51589 1/20 0.50
BLM P54132 1/20 0.50
CYP2C19 P33261 1/20 0.50
TSHR P16473 2/20 0.49
AR P10275 2/20 0.49
MEN1 O00255 1/20 0.49
CYP2D6 P10635 1/20 0.49
KMT2A Q03164 1/20 0.49
APEX1 P27695 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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) HIF1ACYP3A4LMNAALDH1A1NR3C1
SCHEMBL9624004 0.79 HIF1A (0.62) HIF1ACYP3A4LMNAALDH1A1NR3C1
SCHEMBL9623647 0.78 NR3C1 (0.56) HIF1ACYP3A4LMNANR3C1HSD17B10
SCHEMBL11044121 0.78 HIF1A (0.67) HIF1ACYP3A4LMNAALDH1A1NR3C1
SCHEMBL11044125 0.78 HIF1A (0.67) HIF1ACYP3A4LMNAALDH1A1NR3C1
SCHEMBL9623126 0.76 NFKB1 (0.48) HIF1ACYP3A4LMNAALDH1A1NR3C1
SCHEMBL11044048 0.75 HIF1A (0.61) HIF1ACYP3A4LMNAALDH1A1NR3C1
SCHEMBL11044044 0.75 HIF1A (0.61) HIF1ACYP3A4LMNAALDH1A1NR3C1
SCHEMBL21231575 0.75 HIF1A (0.69) HIF1ACYP3A4LMNAALDH1A1NR3C1
SCHEMBL2705971 0.74 HIF1A (0.74) HIF1ACYP3A4LMNAALDH1A1NR3C1

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
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-0268400-A1 Steroidal 17alpha-silyl ethers and process to corticoids and progesterones THE UPJOHN COMPANY (US) 1988-05-25 EP disclosed