SCHEMBL9541199

SCHEMBL9541199

C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.58
AR P10275 5/20 0.58
LMNA P02545 3/20 0.58
ESR1 P03372 2/20 0.58
SLC6A4 P31645 2/20 0.58
OPRM1 P35372 1/20 0.58
CYP3A4 P08684 2/20 0.57
ABCB11 O95342 2/20 0.57
ALDH1A1 P00352 2/20 0.57
SHBG P04278 2/20 0.57
CYP2C19 P33261 2/20 0.57
NR3C1 P04150 2/20 0.57
TSHR P16473 1/20 0.57
HIF1A Q16665 1/20 0.57
ADRA2A P08913 1/20 0.57
CYP19A1 P11511 2/20 0.54
SERPINA6 P08185 2/20 0.54
SLC22A1 O15245 1/20 0.54
THRB P10828 1/20 0.54
NR3C2 P08235 2/20 0.54

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
SCHEMBL12434544 0.84 PGR (0.74) PGRARLMNAESR1SLC6A4
SCHEMBL9542447 0.83 PDK1 (0.59) PGRARLMNAESR1SLC6A4
SCHEMBL8426985 0.83 PGR (0.54) PGRARLMNAESR1SLC6A4
SCHEMBL9007368 0.82 PGR (0.56) PGRARLMNAESR1SLC6A4
SCHEMBL9007371 0.82 PGR (0.56) PGRARLMNAESR1SLC6A4
SCHEMBL8423652 0.82 PGR (0.53) PGRARLMNAESR1SLC6A4
SCHEMBL9541966 0.79 PDK1 (0.43) PGRARLMNAESR1SLC6A4
SCHEMBL8678004 0.78 PGR (0.76) PGRARLMNAESR1SLC6A4
Normethandrone SCHEMBL23801610 0.78 PGR (0.73) PGRARLMNAESR1SLC6A4
Normethandrone SCHEMBL148631 0.78 PGR (0.73) PGRARLMNAESR1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993013122-A1 3-METHYLSULPHONYLHYDRAZONO AND 3-OXYIMINO STEROIDS, A METHOD OF PREPARING THEM, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR USE IN THE PREPARATION OF DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-07-08 WO disclosed