SCHEMBL9544741

SCHEMBL9544741

C=C1C[C@@]2(C)[C@@H](CC[C@]2(C)O)[C@@H]2CCC3=C/C(=N/NS(C)(=O)=O)CC[C@]3(C)[C@@H]12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 5/20 0.44
NR3C1 P04150 4/20 0.44
ALDH1A1 P00352 2/20 0.44
PGR P06401 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
SLC10A1 Q14973 1/20 0.40
LMNA P02545 4/20 0.39
HSD17B10 Q99714 3/20 0.39
SERPINA6 P08185 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP3A4 P08684 1/20 0.39
PMP22 Q01453 1/20 0.39
KCNA1 Q09470 1/20 0.39
SLC47A1 Q96FL8 1/20 0.39
MAPT P10636 2/20 0.37
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37

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
SCHEMBL9542789 0.84 SHBG (0.62) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL9125313 0.84 SHBG (0.39) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL9125308 0.84 SHBG (0.39) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL9125299 0.84 SHBG (0.39) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL9125266 0.80 NR3C1 (0.67) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL9125273 0.80 NR3C1 (0.67) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL9542925 0.80 SHBG (0.33) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL9543799 0.76 SHBG (0.43) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL9542595 0.76 SHBG (0.47) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL9127801 0.74 SHBG (0.47) SHBGNR3C1ALDH1A1PGRADRA1A

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