SCHEMBL9623656

SCHEMBL9623656

C[C@]12C=CC(=O)CC1=CC[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@]2(O)C#N

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.37
AR P10275 2/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KCNH2 Q12809 1/20 0.36
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
ABCB11 O95342 1/20 0.33
CYP17A1 P05093 2/20 0.30
CYP19A1 P11511 1/20 0.30
SHBG P04278 1/20 0.30

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
SCHEMBL10416448 0.81 NFKB1 (0.35) NR3C1ARPGRNR3C2NFKB1
SCHEMBL9623669 0.80 NFKB1 (0.56) NR3C1ARPGRNR3C2NFKB1
SCHEMBL9623854 0.79 NFKB1 (0.33) NR3C1NFKB1NFKB2RELAKCNH2
SCHEMBL8939564 0.78 NR3C1 (0.40) NR3C1ARPGRNR3C2ABCB11
SCHEMBL9623846 0.76 NFKB1 (0.42) NR3C1ARPGRNR3C2NFKB1
SCHEMBL9623805 0.71 NR3C1 (0.60) NR3C1ARPGRNR3C2CYP17A1
SCHEMBL8940232 0.71 NR3C1 (0.60) NR3C1ARPGRNR3C2CYP17A1
SCHEMBL10413147 0.71 NFKB1 (0.55) NR3C1ARPGRNR3C2NFKB1
SCHEMBL8859660 0.70 NFKB1 (0.56) NR3C1ARPGRNR3C2NFKB1
SCHEMBL10625546 0.70 NFKB1 (0.56) NR3C1ARPGRNR3C2NFKB1

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 1 patent. 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