SCHEMBL8626447

SCHEMBL8626447

CCCCCCN(C(=O)CC(N)=O)c1ccc(O)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PAX8 Q06710 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
GPX4 P36969 1/20 0.47
JAK2 O60674 1/20 0.46
SERPINE1 P05121 1/20 0.45
TRPV1 Q8NER1 3/20 0.41
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
APP P05067 4/20 0.39
STAT3 P40763 1/20 0.37
NAAA Q02083 1/20 0.36

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
SCHEMBL8628171 1.00 NPC1 (0.47) NPC1RAB9APAX8ALDH1A1TP53
SCHEMBL8626997 1.00 NPC1 (0.47) NPC1RAB9APAX8ALDH1A1TP53
SCHEMBL8622680 0.86 NPC1 (0.45) NPC1RAB9APAX8ALDH1A1TP53
SCHEMBL8624171 0.86 NPC1 (0.45) NPC1RAB9APAX8ALDH1A1TP53
SCHEMBL8624301 0.86 NPC1 (0.45) NPC1RAB9APAX8ALDH1A1TP53
SCHEMBL9346640 0.86 NPC1 (0.51) NPC1RAB9APAX8ALDH1A1TP53
SCHEMBL9345359 0.86 NPC1 (0.51) NPC1RAB9APAX8ALDH1A1TP53
SCHEMBL9350017 0.86 NPC1 (0.51) NPC1RAB9APAX8ALDH1A1TP53
SCHEMBL8624028 0.85 NPC1 (0.52) NPC1RAB9APAX8ALDH1A1TP53
SCHEMBL8627094 0.85 NPC1 (0.52) NPC1RAB9APAX8ALDH1A1TP53

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-0648612-B1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS LTD (JP) 1998-06-10 EP disclosed
US-5498772-A SUBSTRATE WITH HEAT SENSITIVE LAYER AND OPTICAL RECORDING LAYER MITSUBISHI PAPER MILLS LIMITED (JP) 1996-03-12 US disclosed
EP-0648612-A1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS, LTD. (JP) 1995-04-19 EP disclosed