SCHEMBL10902004

SCHEMBL10902004

CC(=O)OC[C@H](C#N)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.66
CYP19A1 P11511 5/20 0.48
AR P10275 4/20 0.43
PGR P06401 3/20 0.43
NR3C2 P08235 1/20 0.43
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BLM P54132 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 2/20 0.39
HRH1 P35367 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SERPINA6 P08185 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL10901999 1.00 NR3C1 (0.66) NR3C1CYP19A1ARPGRNR3C2
Anecortave Acetate SCHEMBL8470303 0.80 NR3C1 (1.00) NR3C1CYP19A1ARPGRFNTA
Anecortave Acetate SCHEMBL94110 0.80 NR3C1 (1.00) NR3C1CYP19A1ARPGRFNTA
Anecortave Acetate SCHEMBL14612532 0.80 NR3C1 (1.00) NR3C1CYP19A1ARPGRFNTA
Anecortave Acetate SCHEMBL2118233 0.80 NR3C1 (1.00) NR3C1CYP19A1ARPGRFNTA
SCHEMBL16379536 0.79 NR3C1 (0.81) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL9623172 0.79 NR3C1 (0.53) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL9241562 0.79 NR3C1 (0.53) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL9623638 0.78 NR3C1 (0.53) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL9623805 0.78 NR3C1 (0.60) NR3C1CYP19A1ARPGRNR3C2

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
US-4600538-A Corticosteroids from 17-keto steroids via 20-cyano-Δ17 (20)-pregnanes THE UPJOHN COMPANY (US) 1986-07-15 US claimed