SCHEMBL9623669

SCHEMBL9623669

C[C@]12C=CC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@]2(O)C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.56
KCNH2 Q12809 2/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
NR3C1 P04150 3/20 0.45
AR P10275 3/20 0.45
PGR P06401 2/20 0.45
NR3C2 P08235 1/20 0.45
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 2/20 0.40
CASP1 P29466 1/20 0.40
CASP4 P49662 1/20 0.40
CASP5 P51878 1/20 0.40
RGS12 O14924 1/20 0.40

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
SCHEMBL10413147 0.90 NFKB1 (0.55) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL10625546 0.90 NFKB1 (0.56) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL8859660 0.90 NFKB1 (0.56) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL17066183 0.89 NR3C1 (0.57) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL8859719 0.83 NFKB1 (0.61) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL9623846 0.82 NFKB1 (0.42) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL9470074 0.82 NFKB1 (0.60) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL9623665 0.82 NFKB1 (0.67) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL9623656 0.80 NR3C1 (0.37) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL8940232 0.80 NR3C1 (0.60) NR3C1ARPGRNR3C2LMNA

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 7 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
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