SCHEMBL9798976

SCHEMBL9798976

CCCCCCCCCCCCCCCc1cc(OCC(COC(=O)NCCCCCBr)Oc2cc(C)on2)no1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
PPARA Q07869 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MGLL Q99685 2/20 0.34
SMPD1 P17405 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
SCHEMBL9798982 1.00 ALDH1A1 (0.41) ALDH1A1PPARANPC1RAB9AKMT2A
SCHEMBL9531977 0.92 ALDH1A1 (0.41) ALDH1A1PPARASMPD1
SCHEMBL9799444 0.91 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AKMT2AMGLL
SCHEMBL9799452 0.91 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AKMT2AMGLL
SCHEMBL9532943 0.90 ALDH1A1 (0.40) ALDH1A1PPARAKMT2A
Bromide SCHEMBL9529680 0.89 ALDH1A1 (0.39) ALDH1A1PPARA
SCHEMBL9529222 0.88 ALDH1A1 (0.38) ALDH1A1PPARA
Bromide SCHEMBL9528346 0.87 ALDH1A1 (0.38) ALDH1A1PPARA
SCHEMBL9529646 0.86 ALDH1A1 (0.37) ALDH1A1PPARASMPD1
SCHEMBL9529746 0.86 SMN1; SMN2 (0.42)

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-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