SCHEMBL7616035

SCHEMBL7616035

C[C@]12CC(O)[C@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2(O)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.80
AR P10275 3/20 0.77
PGR P06401 3/20 0.77
HSD17B10 Q99714 1/20 0.77
HIF1A Q16665 3/20 0.73
HRH1 P35367 1/20 0.73
LMNA P02545 3/20 0.67
FNTA P49354 1/20 0.66
FNTB P49356 1/20 0.66
SERPINA6 P08185 1/20 0.60
SHBG P04278 1/20 0.57
CYP3A4 P08684 3/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.47

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
SCHEMBL3406859 1.00 NR3C1 (0.80) NR3C1ARPGRHSD17B10HIF1A
SCHEMBL11814068 0.92 NR3C1 (0.77) NR3C1ARPGRHSD17B10HIF1A
SCHEMBL11814061 0.92 NR3C1 (0.77) NR3C1ARPGRHSD17B10HIF1A
SCHEMBL3394719 0.92 NR3C1 (0.80) NR3C1ARPGRHSD17B10HIF1A
SCHEMBL3394713 0.92 NR3C1 (0.80) NR3C1ARPGRHSD17B10HIF1A
SCHEMBL13069232 0.92 NR3C1 (0.80) NR3C1ARPGRHSD17B10HIF1A
SCHEMBL21231580 0.92 NR3C1 (0.80) NR3C1ARPGRHSD17B10HIF1A
SCHEMBL8735123 0.90 NR3C1 (0.87) NR3C1ARPGRHSD17B10HIF1A
SCHEMBL8735124 0.90 NR3C1 (0.87) NR3C1ARPGRHSD17B10HIF1A
Fludrocortisone SCHEMBL23975175 0.89 NR3C1 (1.00) NR3C1ARPGRHSD17B10HIF1A

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-0902789-B1 ANDROSTENE DERIVATIVES SOFT DRUGS INC (US) 2002-01-23 EP disclosed
US-4996335-A Soft steroids having anti-inflammatory activity Bodor, Nicholas S. (US) 1991-02-26 US disclosed