SCHEMBL18799367

SCHEMBL18799367

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.75
ALDH1A1 P00352 3/20 0.66
MAPK1 P28482 1/20 0.66
NR3C1 P04150 6/20 0.65
HSD17B10 Q99714 10/20 0.59
SHBG P04278 4/20 0.59
SERPINA6 P08185 4/20 0.59
CYP3A4 P08684 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 3/20 0.59
TSHR P16473 2/20 0.59
PMP22 Q01453 2/20 0.59
CYP2D6 P10635 1/20 0.59
KCNA1 Q09470 1/20 0.59
SLC47A1 Q96FL8 1/20 0.59
HIF1A Q16665 6/20 0.58
BLM P54132 1/20 0.58
PGR P06401 3/20 0.53
KMT2A Q03164 2/20 0.53
NR3C2 P08235 1/20 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
SCHEMBL143178 0.88 NR3C1 (0.74) CYP2C19ALDH1A1MAPK1NR3C1HSD17B10
SCHEMBL4546 0.88 NR3C1 (0.74) CYP2C19ALDH1A1MAPK1NR3C1HSD17B10
SCHEMBL11156797 0.83 ALDH1A1 (0.71) CYP2C19ALDH1A1MAPK1NR3C1HSD17B10
SCHEMBL11156788 0.83 ALDH1A1 (0.71) CYP2C19ALDH1A1MAPK1NR3C1HSD17B10
SCHEMBL8903198 0.80 NR3C1 (0.79) CYP2C19ALDH1A1MAPK1NR3C1HSD17B10
SCHEMBL607348 0.80 NR3C1 (0.79) CYP2C19ALDH1A1MAPK1NR3C1HSD17B10
SCHEMBL11638959 0.80 NR3C1 (0.68) CYP2C19ALDH1A1MAPK1NR3C1HSD17B10
SCHEMBL11638969 0.80 NR3C1 (0.68) CYP2C19ALDH1A1MAPK1NR3C1HSD17B10
Fludrocortisone SCHEMBL23975175 0.79 NR3C1 (1.00) CYP2C19ALDH1A1MAPK1NR3C1HSD17B10
Fludrocortisone SCHEMBL10598529 0.79 NR3C1 (1.00) CYP2C19ALDH1A1MAPK1NR3C1HSD17B10

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-9638703-B2 Quantification of glucocorticoids in fish scales as biomarkers for chronic stress UNIVERSITEIT GENT (BE) 2017-05-02 US disclosed