SCHEMBL2330386

SCHEMBL2330386

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC([C@]56[C@@H](O)C[C@@]7(C)[C@@H](CC[C@]7(O)C(=O)CO)[C@@H]5CCC5=CC(=O)CC[C@@]56C)[C@@]43C)[C@@H]1CC[C@@H]2O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.59
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HSD17B10 Q99714 8/20 0.49
HIF1A Q16665 5/20 0.49
SERPINA6 P08185 5/20 0.49
CYP2C19 P33261 4/20 0.49
SHBG P04278 4/20 0.49
CYP3A4 P08684 4/20 0.49
PGR P06401 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
NR3C2 P08235 1/20 0.49
NFKB1 P19838 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 4/20 0.49
TSHR P16473 3/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
HRH1 P35367 1/20 0.48

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
SCHEMBL8907648 0.93 NR3C1 (0.56) NR3C1MAPK1ALDH1A1HSD17B10HIF1A
SCHEMBL94105 0.87 HIF1A (0.63) NR3C1MAPK1ALDH1A1HSD17B10HIF1A
SCHEMBL20575301 0.86 NR3C1 (0.56) NR3C1MAPK1ALDH1A1HSD17B10HIF1A
SCHEMBL7766720 0.85 HIF1A (0.55) NR3C1MAPK1ALDH1A1HSD17B10HIF1A
SCHEMBL2981243 0.85 HSD17B10 (0.60) NR3C1MAPK1ALDH1A1HSD17B10HIF1A
SCHEMBL28318620 0.84 HIF1A (0.60) NR3C1MAPK1ALDH1A1HSD17B10HIF1A
SCHEMBL8061818 0.83 HIF1A (0.59) NR3C1MAPK1ALDH1A1HSD17B10HIF1A
SCHEMBL6370137 0.83 HIF1A (0.59) NR3C1MAPK1ALDH1A1HSD17B10HIF1A
Butyric Acid SCHEMBL28142317 0.82 HIF1A (0.57) NR3C1MAPK1ALDH1A1HSD17B10HIF1A
SCHEMBL24461 0.81 SERPINA6 (0.57) NR3C1MAPK1ALDH1A1HSD17B10HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356453-A2 METABOLIC SYNDROME AND HPA AXIS BIOMARKERS FOR MAJOR DEPRESSIVE DISORDER Ridge Diagnostics, Inc. (US) 2011-08-17 EP disclosed
WO-2010059709-A2 METABOLIC SYNDROME AND HPA AXIS BIOMARKERS FOR MAJOR DEPRESSIVE DISORDER RIDGE DIAGNOSTICS, INC. (US) 2010-05-27 WO disclosed
EP-1668345-A1 IMMUNOASSAY The Horticulture and Food Research Institute of New Zealand Limited (NZ) 2006-06-14 EP disclosed
WO-2005026702-A1 IMMUNOASSAY THE HORTICULTURE AND FOOD RESEARCH INSTITUTE OF NEW ZEALAND LIMITED (NZ) 2005-03-24 WO disclosed