SCHEMBL8735124

SCHEMBL8735124

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

nearest known ligand 0.87

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.87
PGR P06401 3/20 0.80
HIF1A Q16665 3/20 0.80
HRH1 P35367 1/20 0.80
AR P10275 3/20 0.74
HSD17B10 Q99714 1/20 0.74
FNTA P49354 1/20 0.69
FNTB P49356 1/20 0.69
SERPINA6 P08185 1/20 0.66
LMNA P02545 2/20 0.65
ALDH1A1 P00352 2/20 0.59
MAPK1 P28482 1/20 0.59
CYP3A4 P08684 3/20 0.57
USP2 O75604 1/20 0.57
SHBG P04278 1/20 0.55
CYP2C19 P33261 2/20 0.52

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
SCHEMBL8735123 1.00 NR3C1 (0.87) NR3C1PGRHIF1AHRH1AR
Fludrocortisone SCHEMBL10598529 0.93 NR3C1 (1.00) NR3C1PGRHIF1AHRH1AR
Fludrocortisone SCHEMBL14373312 0.93 NR3C1 (1.00) NR3C1PGRHIF1AHRH1AR
Fludrocortisone SCHEMBL5188889 0.93 NR3C1 (1.00) NR3C1PGRHIF1AHRH1AR
Fludrocortisone SCHEMBL4323075 0.93 NR3C1 (1.00) NR3C1PGRHIF1AHRH1AR
Fludrocortisone SCHEMBL23975175 0.93 NR3C1 (1.00) NR3C1PGRHIF1AHRH1AR
Fludrocortisone SCHEMBL13026141 0.93 NR3C1 (1.00) NR3C1PGRHIF1AHRH1AR
Fludrocortisone SCHEMBL4545 0.93 NR3C1 (1.00) NR3C1PGRHIF1AHRH1AR
Fludrocortisone SCHEMBL19327146 0.93 NR3C1 (1.00) NR3C1PGRHIF1AHRH1AR
SCHEMBL11335111 0.92 NR3C1 (0.84) NR3C1PGRHIF1AHRH1AR

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-0648229-B1 HYALURONIC ACID AND DERIVATIVES THEREOF IN INTERPENETRATING POLYMER NETWORKS (IPN) MURST ITALIAN (IT) 1998-05-06 EP disclosed
US-5644049-A Biomaterial comprising hyaluronic acid and derivatives thereof in interpenetrating polymer networks (IPN) M.U.R.S.T. ITALIAN MINISTRY FOR UNIVERSITITES AND SCIENTIFIC AND TECHNOLOGY RESEARCH (IT) 1997-07-01 US disclosed