SCHEMBL9530037

SCHEMBL9530037

CCCCCCCCCCCCCCCCc1cc(OCC(COC(=O)NCc2ccccn2)Oc2ccon2)no1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TLR2 O60603 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CTSK P43235 1/20 0.36
PPARA Q07869 1/20 0.36
HTT P42858 1/20 0.35
ADORA2A P29274 1/20 0.34

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
SCHEMBL9529273 0.87 HPGD (0.42) HPGDHSD17B10KMT2AMEN1TLR2
SCHEMBL9529278 0.87 HPGD (0.42) HPGDHSD17B10KMT2AMEN1TLR2
SCHEMBL9529285 0.87 HPGD (0.42) HPGDHSD17B10KMT2AMEN1TLR2
SCHEMBL9527728 0.84 NPC1 (0.34) RAB9ANPC1TLR2PPARA
SCHEMBL9529528 0.77 PPARA (0.37) ALDH1A1CYP1A2CYP2C19PPARA
SCHEMBL9529530 0.77 PPARA (0.37) ALDH1A1CYP1A2CYP2C19PPARA
SCHEMBL9528943 0.77 CTSK (0.34) ALDH1A1CTSKPPARA
SCHEMBL9529382 0.77 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9531289 0.75
SCHEMBL9531283 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238202-B1 GLYCEROL DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE Sankyo Company Limited (JP) 1993-04-28 EP disclosed
US-5068340-A Antagonist of platelet activating factor for treatment of asthma, inflammation or shock SANKYO COMPANY, LIMITED (JP) 1991-11-26 US disclosed
EP-0238202-A2 Glycerol derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1987-09-23 EP disclosed