SCHEMBL9738161

SCHEMBL9738161

CC(=O)OCC(O)=C1C(C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@]34OC4C[C@]12C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 1/20 0.50
NR3C1 P04150 5/20 0.44
PGR P06401 5/20 0.44
HIF1A Q16665 2/20 0.44
HRH1 P35367 1/20 0.44
LMNA P02545 3/20 0.40
CYP3A4 P08684 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AR P10275 5/20 0.40
NR3C2 P08235 1/20 0.40
CHRM1 P11229 2/20 0.40
SERPINA6 P08185 1/20 0.40
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
BLM P54132 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL9738157 1.00 ALDH1A1 (0.50) ALDH1A1MAPK1NR3C1PGRHIF1A
SCHEMBL9738151 1.00 ALDH1A1 (0.50) ALDH1A1MAPK1NR3C1PGRHIF1A
SCHEMBL9736765 0.87 ALDH1A1 (0.57) ALDH1A1MAPK1NR3C1PGRHIF1A
SCHEMBL9736760 0.87 ALDH1A1 (0.57) ALDH1A1MAPK1NR3C1PGRHIF1A
SCHEMBL9736769 0.87 ALDH1A1 (0.57) ALDH1A1MAPK1NR3C1PGRHIF1A
SCHEMBL9737736 0.84 KDM4E (0.50) ALDH1A1NR3C1PGRHIF1ALMNA
SCHEMBL9737739 0.84 KDM4E (0.50) ALDH1A1NR3C1PGRHIF1ALMNA
SCHEMBL9737729 0.84 KDM4E (0.50) ALDH1A1NR3C1PGRHIF1ALMNA
SCHEMBL9737050 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1NR3C1PGRHIF1A
SCHEMBL9737165 0.79 LMNA (0.52) ALDH1A1MAPK1NR3C1PGRHIF1A

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
EP-0278319-B1 9,11-EPOXY-21-HYDROXYPREGNANE DERIVATIVES THE UPJOHN COMPANY (US) 1992-10-07 EP claimed
EP-0278319-A1 9,11-Epoxy-21-hydroxypregnane derivatives THE UPJOHN COMPANY (US) 1988-08-17 EP claimed