SCHEMBL13725675

SCHEMBL13725675

CC12CCCC1C1CCc3ccccc3C1CC2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 3/20 0.70
STS P08842 7/20 0.59
AKR1C3 P42330 3/20 0.54
HSD17B1 P14061 3/20 0.46
ESR1 P03372 4/20 0.42
HSD17B10 Q99714 4/20 0.42
LMNA P02545 3/20 0.42
ESR2 Q92731 3/20 0.42
AKR1B10 O60218 2/20 0.42
CYP1A2 P05177 2/20 0.42
PGR P06401 2/20 0.42
SERPINA6 P08185 2/20 0.42
CYP3A4 P08684 2/20 0.42
AR P10275 2/20 0.42
MAPT P10636 2/20 0.42
AKR1B1 P15121 2/20 0.42
SLC6A4 P31645 2/20 0.42
SNCA P37840 2/20 0.42
HTR2B P41595 2/20 0.42
BLM P54132 2/20 0.42

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
SCHEMBL11096655 1.00 SHBG (0.70) SHBGSTSAKR1C3HSD17B1ESR1
SCHEMBL975788 1.00 SHBG (0.70) SHBGSTSAKR1C3HSD17B1ESR1
SCHEMBL29446097 1.00 SHBG (0.70) SHBGSTSAKR1C3HSD17B1ESR1
SCHEMBL30887214 1.00 SHBG (0.70) SHBGSTSAKR1C3HSD17B1ESR1
SCHEMBL1258796 0.96 SHBG (0.64) SHBGSTSAKR1C3HSD17B1ESR1
Sulfamate SCHEMBL2451788 0.90 STS (0.65) SHBGSTSAKR1C3HSD17B1ESR1
SCHEMBL7043293 0.87 STS (0.59) SHBGSTSAKR1C3HSD17B1CYP2C9
SCHEMBL7703001 0.87 SHBG (0.56) SHBGSTSAKR1C3HSD17B1ESR1
Serine SCHEMBL11346267 0.84 SHBG (0.54) SHBGSTSAKR1C3HSD17B1CYP3A4
SCHEMBL712443 0.82 SHBG (1.00) SHBGSTSHSD17B1ESR1HSD17B10

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
EP-1298115-B1 PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS NAT INST OF ADVANCED IND SCIEN (JP) 2009-08-26 EP disclosed