SCHEMBL11525865

SCHEMBL11525865

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

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.71
PGR P06401 3/20 0.71
CHRM1 P11229 2/20 0.71
HIF1A Q16665 6/20 0.63
LMNA P02545 1/20 0.63
SERPINA6 P08185 1/20 0.63
CYP3A4 P08684 2/20 0.60
ALDH1A1 P00352 1/20 0.60
NR3C2 P08235 7/20 0.58
NR3C1 P04150 2/20 0.55
KMT2A Q03164 2/20 0.55
TSHR P16473 2/20 0.55
MEN1 O00255 1/20 0.55
FNTA P49354 1/20 0.55
FNTB P49356 1/20 0.55
BLM P54132 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.51
PMP22 Q01453 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL11525870 1.00 AR (0.71) ARPGRCHRM1HIF1ALMNA
SCHEMBL18506541 0.94 AR (0.64) ARPGRCHRM1HIF1ALMNA
SCHEMBL18506544 0.91 NR3C2 (0.68) ARPGRCHRM1HIF1ALMNA
SCHEMBL18506540 0.91 PGR (0.60) ARPGRCHRM1HIF1ALMNA
SCHEMBL1247962 0.90 PGR (0.87) ARPGRCHRM1HIF1ALMNA
SCHEMBL10380853 0.90 PGR (0.87) ARPGRCHRM1HIF1ALMNA
SCHEMBL10380855 0.90 PGR (0.87) ARPGRCHRM1HIF1ALMNA
SCHEMBL11244221 0.85 AR (0.63) ARPGRCHRM1HIF1ALMNA
SCHEMBL6944506 0.85 AR (0.63) ARPGRCHRM1HIF1ALMNA
SCHEMBL835740 0.85 AR (0.68) ARPGRCHRM1HIF1ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4154748-A Phosphate catalyzed acylation of steroidal tertiary alcohols THE UPJOHN COMPANY (US) 1979-05-15 US claimed
US-4154748-A Phosphate catalyzed acylation of steroidal tertiary alcohols THE UPJOHN COMPANY (US) 1979-05-15 US disclosed