SCHEMBL9768560

SCHEMBL9768560

NCC(=O)OC(=O)c1ccccc1C(=O)OC(=O)CN

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.47
ALDH1A1 P00352 8/20 0.44
CYP3A4 P08684 2/20 0.42
NPC1 O15118 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 3/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
CFTR P13569 1/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 1/20 0.37
CTSD P07339 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
SCHEMBL29381574 1.00 TSHR (0.47) TSHRALDH1A1CYP3A4NPC1TDP1
SCHEMBL28694899 0.91 ALDH1A1 (0.50) TSHRALDH1A1HSD17B10ALOX15
SCHEMBL4212396 0.88 TSHR (0.53) TSHRALDH1A1NPC1TDP1L3MBTL1
SCHEMBL29635213 0.88 ALDH1A1 (0.56) TSHRALDH1A1CYP3A4NPC1TDP1
SCHEMBL1003784 0.87 TSHR (0.52) TSHRALDH1A1NPC1TDP1L3MBTL1
SCHEMBL4210618 0.87 TSHR (0.52) TSHRALDH1A1NPC1TDP1L3MBTL1
SCHEMBL4208157 0.87 TSHR (0.52) TSHRALDH1A1NPC1TDP1L3MBTL1
SCHEMBL16714063 0.87 NPC1 (0.47) TSHRALDH1A1NPC1L3MBTL1HSD17B10
SCHEMBL6205138 0.82 LMNA (0.47) NPC1TDP1L3MBTL1LMNA
SCHEMBL3677102 0.81 ALOX5 (0.44) TSHRALDH1A1TDP1HSD17B10LMNA

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-4994297-A Method of using fast pyrolysis liquids as liquid smoke ENSYN ENGINEERING ASSOCIATES, INC. (CA) 1991-02-19 US disclosed
US-4876108-A HEATING GROUND WOOD WITHOUT OXYGEN, COOLING, EXTRACTING WITH WATER ENSYN ENGINEERING ASSOCIATES INC. (CA) 1989-10-24 US disclosed