SCHEMBL9266010

SCHEMBL9266010

NC(Cc1ccccc1)C(=O)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.70
ALPI P09923 1/20 0.70
PKM P14618 1/20 0.70
PTGS1 P23219 1/20 0.70
XIAP P98170 1/20 0.70
SLC15A1 P46059 1/20 0.59
LTA4H P09960 2/20 0.56
ANPEP P15144 2/20 0.55
RNPEP Q9H4A4 1/20 0.55
DNPEP Q9ULA0 1/20 0.55
SLC1A3 P43003 2/20 0.55
SLC1A2 P43004 2/20 0.55
SLC1A1 P43005 2/20 0.55
HDAC8 Q9BY41 2/20 0.53
EPHX1 P07099 2/20 0.52
CYP1A2 P05177 1/20 0.52
LAP3 P28838 3/20 0.50
CTSC P53634 1/20 0.50
SRR Q9GZT4 1/20 0.48

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
SCHEMBL660504 0.91 SLC7A5 (0.76) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL660503 0.91 SLC7A5 (0.76) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7365811 0.86 SLC7A5 (0.68) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL1788900 0.86 SLC7A5 (0.68) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL16628200 0.86 ALPI (0.68) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL29169576 0.86 ALPI (0.68) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL34465319 0.83 SLC7A5 (0.92) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL3208566 0.83 SLC7A5 (0.70) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7722345 0.83 SLC7A5 (0.70) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL3315855 0.83 SLC7A5 (0.70) SLC7A5ALPIPKMPTGS1XIAP

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-5455271-A Using aromatic amine derivitives as mosquito insecticide THE SCRIPPS RESEARCH INSTITUTE (US) 1995-10-03 US disclosed
WO-1994000420-A1 NOVEL TIGHT-BINDING INHIBITORS OF LEUKOTRIENE A4 HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 1994-01-06 WO disclosed