SCHEMBL9529273

SCHEMBL9529273

CCCCCCCCCCCCCCCCCNC(=O)OC[C@H](COC(=O)NCc1ccccn1)Oc1ccon1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TLR2 O60603 1/20 0.40
CTSK P43235 1/20 0.40
ALOX12 P18054 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FAAH O00519 1/20 0.38

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
SCHEMBL9529278 1.00 HPGD (0.42) HPGDHSD17B10TLR2CTSKALOX12
SCHEMBL9529285 1.00 HPGD (0.42) HPGDHSD17B10TLR2CTSKALOX12
SCHEMBL9530037 0.87 ALDH1A1 (0.39) HPGDHSD17B10TLR2CTSKMEN1
SCHEMBL9531283 0.87
SCHEMBL9531289 0.87
SCHEMBL9529750 0.87
SCHEMBL9693316 0.84 HPGD (0.48) HPGDHSD17B10
SCHEMBL9693970 0.83 HPGD (0.50) HPGDHSD17B10TLR2CTSKALOX12
SCHEMBL9531777 0.83 PLA2G2A (0.39) FAAH
SCHEMBL9528828 0.83 ATM (0.41) FAAH

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