SCHEMBL11517544

SCHEMBL11517544

CC(C)(C)C(=O)O[C@H]1CC[C@]2(O)[C@@H]3C=CC4=CC(=O)CC[C@]4(CO)[C@H]3CC[C@]12C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.41
NR3C1 P04150 4/20 0.41
LMNA P02545 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
PDE4D Q08499 1/20 0.41
CYP19A1 P11511 8/20 0.38
CYP3A4 P08684 4/20 0.37
CYP2C19 P33261 3/20 0.37
AR P10275 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
NR1I2 O75469 2/20 0.36
OPRK1 P41145 2/20 0.36
CHRM2 P08172 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 2/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL11518319 0.90 NR3C1 (0.38) PGRNR3C1LMNATDP1PDE4D
SCHEMBL11516696 0.86 PGR (0.38) PGRNR3C1LMNATDP1PDE4D
SCHEMBL11517202 0.85
SCHEMBL11516228 0.84 PGR (0.38) PGRNR3C1LMNATDP1PDE4D
SCHEMBL11519477 0.84 PGR (0.38) PGRNR3C1LMNATDP1PDE4D
SCHEMBL11746471 0.80 PGR (0.51) PGRNR3C1LMNATDP1PDE4D
SCHEMBL11515538 0.78 CYP19A1 (0.40) PGRNR3C1LMNATDP1PDE4D
SCHEMBL11517978 0.75 CYP19A1 (0.34) PGRNR3C1LMNATDP1PDE4D
SCHEMBL11517777 0.75 CYP19A1 (0.34) PGRNR3C1LMNATDP1PDE4D
SCHEMBL11515125 0.75 CYP19A1 (0.33) CYP19A1

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
US-4134891-A 14-Functionalized 8,19-oxido steroids and processes for preparation thereof STEELE CHEMICALS CO. LTD. (CA) 1979-01-16 US disclosed
US-4096142-A 14,19-Dioxygenated steroid compounds and their 14-dehydro analogs and process for the preparation thereof STEELE CHEMICALS CO. LTD. (CA) 1978-06-20 US disclosed