SCHEMBL7793950

SCHEMBL7793950

C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3[C@@H]4CC[C@@H]4[C@@](O)(CCOC(=O)O)[C@@]3(C)CC[C@@H]12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 5/20 0.54
ALDH1A1 P00352 5/20 0.54
NR3C1 P04150 4/20 0.54
PGR P06401 3/20 0.54
ADRA1A P35348 1/20 0.54
HTR2B P41595 1/20 0.54
LMNA P02545 6/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
CYP2C19 P33261 4/20 0.53
SERPINA6 P08185 4/20 0.53
MAPT P10636 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
BLM P54132 2/20 0.53
ADORA3 P0DMS8 1/20 0.53
MAPK3 P27361 1/20 0.53
SLC6A3 Q01959 1/20 0.53
CYP3A4 P08684 5/20 0.53
HSD17B10 Q99714 3/20 0.53
TSHR P16473 3/20 0.53

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
SCHEMBL3246003 0.87 SHBG (0.57) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL10783197 0.86 NR3C1 (0.55) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL10781408 0.85 PSEN1 (0.52) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL10959339 0.85 PSEN1 (0.58) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL3057144 0.84 SHBG (0.58) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL11508378 0.84 SHBG (0.58) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL14713210 0.84 SHBG (0.58) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL3073418 0.84 SHBG (0.55) SHBGALDH1A1NR3C1PGRADRA1A
Potassium Ion SCHEMBL10786275 0.84 SHBG (0.55) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL10783952 0.83 LMNA (0.55) SHBGALDH1A1NR3C1PGRADRA1A

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-0863760-B1 USE OF ANTIMINERALOCORTICOID COMPOUNDS AGAINST DRUG WITHDRAWAL SYNDROME AVENTIS PHARMA SA (FR) 2001-12-05 EP claimed