SCHEMBL9656247

SCHEMBL9656247

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.61
PGR P06401 4/20 0.57
AR P10275 3/20 0.57
HSD17B10 Q99714 2/20 0.57
LMNA P02545 3/20 0.53
HIF1A Q16665 2/20 0.52
HRH1 P35367 1/20 0.52
CYP3A4 P08684 3/20 0.49
USP2 O75604 1/20 0.49
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
SERPINA6 P08185 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
SHBG P04278 1/20 0.44
CYP17A1 P05093 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB1 P19838 1/20 0.39
CYP2J2 P51589 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL9656240 1.00 NR3C1 (0.61) NR3C1PGRARHSD17B10LMNA
SCHEMBL11141463 0.91 NR3C1 (0.59) NR3C1PGRARHSD17B10LMNA
SCHEMBL11138448 0.91 NR3C1 (0.59) NR3C1PGRARHSD17B10LMNA
SCHEMBL11526150 0.91 NR3C1 (0.59) NR3C1PGRARHSD17B10LMNA
SCHEMBL11138455 0.91 NR3C1 (0.59) NR3C1PGRARHSD17B10LMNA
SCHEMBL11688398 0.89 NR3C1 (0.60) NR3C1PGRARHSD17B10LMNA
SCHEMBL11688405 0.89 NR3C1 (0.60) NR3C1PGRARHSD17B10LMNA
SCHEMBL11688389 0.89 NR3C1 (0.60) NR3C1PGRARHSD17B10LMNA
SCHEMBL11523625 0.88 NR3C1 (0.64) NR3C1PGRARHSD17B10LMNA
SCHEMBL11523629 0.88 NR3C1 (0.64) NR3C1PGRARHSD17B10LMNA

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-0127216-B1 PROCESS FOR THE PREPARATION OF 21-HYDROXY-20-KETO-DELTA16-STEROIDS AND INTERMEDIATE COMPOUNDS FORMED IN THIS PROCESS ROUSSEL-UCLAF (FR) 1992-01-02 EP disclosed
EP-0123736-A1 New process for the preparation of 21-hydroxy-20-keto-delta 16-steroids and new intermediate compounds formed in this process GIST-BROCADES N.V. (NL) 1984-11-07 EP disclosed