SCHEMBL6064774

SCHEMBL6064774

CCCCN(C(N)=O)c1cccc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.46
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PAX8 Q06710 2/20 0.44
TP53 P04637 1/20 0.44
GPX4 P36969 1/20 0.44
MAPT P10636 1/20 0.43
JAK2 O60674 1/20 0.43
KMT2A Q03164 2/20 0.42
ADRA2C P18825 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
HPGD P15428 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
ADRB2 P07550 1/20 0.41
HDAC1 Q13547 1/20 0.41
PLA2G4B P0C869 1/20 0.40

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
SCHEMBL4680424 0.96 NPC1 (0.49) LTB4R2ALDH1A1NPC1RAB9APAX8
SCHEMBL1506356 0.83 NPC1 (0.58) LTB4R2ALDH1A1NPC1RAB9APAX8
SCHEMBL6064822 0.82 ALDH1A1 (0.47) LTB4R2ALDH1A1NPC1RAB9APAX8
SCHEMBL11651430 0.82 RAB9A (0.63) LTB4R2ALDH1A1NPC1RAB9APAX8
SCHEMBL28072408 0.82 ALDH1A1 (0.52) LTB4R2ALDH1A1KMT2ANR1H4HPGD
Hydrochloric Acid SCHEMBL27532672 0.82 NPC1 (0.56) LTB4R2ALDH1A1NPC1RAB9APAX8
SCHEMBL8938088 0.81 ALDH1A1 (0.46) LTB4R2ALDH1A1NPC1RAB9APAX8
SCHEMBL10689801 0.79 ALDH1A1 (0.47) LTB4R2ALDH1A1KMT2ANR1H4HPGD
SCHEMBL15020737 0.79 PLA2G2A (0.45) ALDH1A1NPC1RAB9APAX8TP53
SCHEMBL3055011 0.79 NPC1 (0.65) ALDH1A1NPC1RAB9APAX8TP53

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-1560878-B1 THERMALLY STABILISED PVC COMPOSITIONS LAMBERTI SPA (IT) 2006-05-17 EP disclosed
EP-1560878-A1 THERMALLY STABILISED PVC COMPOSITIONS Lamberti Spa (IT) 2005-08-10 EP disclosed
WO-2004046236-A1 THERMALLY STABILISED PVC COMPOSITIONS LAMBERTI SPA (IT) 2004-06-03 WO disclosed