SCHEMBL10429009

SCHEMBL10429009

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.76
ALDH1A1 P00352 2/20 0.68
MAPK1 P28482 1/20 0.68
HIF1A Q16665 5/20 0.62
PGR P06401 3/20 0.62
HRH1 P35367 1/20 0.62
CYP2C19 P33261 4/20 0.61
SERPINA6 P08185 4/20 0.60
HSD17B10 Q99714 8/20 0.58
SHBG P04278 3/20 0.58
CYP3A4 P08684 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NR3C2 P08235 1/20 0.58
MAPT P10636 1/20 0.58
NFKB1 P19838 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 2/20 0.55
PMP22 Q01453 2/20 0.55
TSHR P16473 2/20 0.55
BLM P54132 1/20 0.55

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
SCHEMBL10429011 1.00 NR3C1 (0.76) NR3C1ALDH1A1MAPK1HIF1APGR
SCHEMBL9277545 0.89 HIF1A (0.79) NR3C1ALDH1A1MAPK1HIF1APGR
SCHEMBL9277542 0.89 HIF1A (0.79) NR3C1ALDH1A1MAPK1HIF1APGR
SCHEMBL607348 0.88 NR3C1 (0.79) NR3C1ALDH1A1MAPK1HIF1APGR
SCHEMBL8903198 0.88 NR3C1 (0.79) NR3C1ALDH1A1MAPK1HIF1APGR
Fludrocortisone SCHEMBL23975175 0.86 NR3C1 (1.00) NR3C1ALDH1A1MAPK1HIF1APGR
Fludrocortisone SCHEMBL10598529 0.86 NR3C1 (1.00) NR3C1ALDH1A1MAPK1HIF1APGR
Fludrocortisone SCHEMBL13026141 0.86 NR3C1 (1.00) NR3C1ALDH1A1MAPK1HIF1APGR
Fludrocortisone SCHEMBL19327146 0.86 NR3C1 (1.00) NR3C1ALDH1A1MAPK1HIF1APGR
Fludrocortisone SCHEMBL4323075 0.86 NR3C1 (1.00) NR3C1ALDH1A1MAPK1HIF1APGR

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-0374185-A1 IMPROVED 9-g(a)-DEHALOGENATION PROCESS. UPJOHN CO (US) 1990-06-27 EP disclosed
WO-1989001482-A1 IMPROVED 9alpha-DEHALOGENATION PROCESS THE UPJOHN COMPANY (US) 1989-02-23 WO disclosed