SCHEMBL9623712

SCHEMBL9623712

C[C@]12C=CC(=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 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
HIF1A Q16665 6/20 0.39
PGR P06401 3/20 0.39
POLB P06746 1/20 0.39
AR P10275 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 4/20 0.37
CYP3A4 P08684 3/20 0.37
NR3C1 P04150 4/20 0.34
ABCB11 O95342 2/20 0.34
MAPT P10636 2/20 0.34
NFKB1 P19838 1/20 0.34
BLM P54132 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR1 P21554 1/20 0.33
KCNH2 Q12809 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NR1I2 O75469 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
SCHEMBL9623066 0.85 CYP3A4 (0.41) KDM4EHIF1APGRARALDH1A1
SCHEMBL9623260 0.85 ALDH1A1 (0.56) KDM4EHIF1APGRARALDH1A1
SCHEMBL9623600 0.85 HIF1A (0.55) HIF1APGRARALDH1A1LMNA
SCHEMBL9624042 0.80 KDM4E (0.67) KDM4EHIF1APGRPOLBAR
SCHEMBL9623139 0.77 ALDH1A1 (0.41) KDM4EHIF1APGRARALDH1A1
SCHEMBL9623647 0.77 NR3C1 (0.56) HIF1APGRARLMNACYP3A4
SCHEMBL9623126 0.77 NFKB1 (0.48) KDM4EHIF1APGRPOLBAR
SCHEMBL5943277 0.75 KDM4E (0.80) KDM4EHIF1APGRPOLBAR
SCHEMBL5943274 0.75 KDM4E (0.80) KDM4EHIF1APGRPOLBAR
SCHEMBL6152790 0.75 KDM4E (0.76) KDM4EHIF1APGRPOLBAR

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 6 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-0268400-A1 Steroidal 17alpha-silyl ethers and process to corticoids and progesterones THE UPJOHN COMPANY (US) 1988-05-25 EP 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