SCHEMBL9623872

SCHEMBL9623872

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.45
AR P10275 3/20 0.42
PGR P06401 2/20 0.42
NR3C2 P08235 1/20 0.42
CYP19A1 P11511 4/20 0.39
ABCB11 O95342 1/20 0.39
ESR1 P03372 2/20 0.35
ESR2 Q92731 1/20 0.35
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
KCNH2 Q12809 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
TSHR P16473 2/20 0.31
CYP2C19 P33261 2/20 0.31
HIF1A Q16665 2/20 0.31
LMNA P02545 2/20 0.31
THRB P10828 2/20 0.31
CYP17A1 P05093 1/20 0.31

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
SCHEMBL9623805 0.84 NR3C1 (0.60) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL8940232 0.84 NR3C1 (0.60) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL10582213 0.81 NR3C1 (0.41) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL9623669 0.77 NFKB1 (0.56) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL9623603 0.75 ABCB11 (0.38) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL10413728 0.74 NR3C1 (0.58) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL10629758 0.73 NR3C1 (0.60) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL10781341 0.73 NR3C1 (0.60) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL9623997 0.73 ABCB11 (0.36) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL8939564 0.72 NR3C1 (0.40) NR3C1ARPGRNR3C2CYP19A1

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