SCHEMBL8894583

SCHEMBL8894583

NC(Cc1ccccc1)c1ccccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
CYP1A2 P05177 1/20 0.46
EPHX1 P07099 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SLC15A1 P46059 1/20 0.45
LAP3 P28838 3/20 0.44
ANPEP P15144 1/20 0.44
SRR Q9GZT4 1/20 0.43
LTA4H P09960 1/20 0.42

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
SCHEMBL7362585 0.81 SLC15A1 (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9839451 0.80 ALDH1A1 (0.46) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL28205347 0.79 ALDH1A1 (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7204826 0.79 NPC1 (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL14660916 0.77 ALDH1A1 (0.44) SLC7A5ALDH1A1ALOX15GAAKMT2A
SCHEMBL7197326 0.77 CAPN1 (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9840091 0.77 ALDH1A1 (0.44) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL6372852 0.77 ALDH1A1 (0.56) ALDH1A1ALOX15GAAKMT2ATDP1
Dl-Phenylalanine SCHEMBL28192881 0.76 SLC7A5 (0.81) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28942199 0.75 SLC7A5 (0.61) ALPIPKMPTGS1XIAPSLC7A5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643872-A ANTIAGGLOMERANTS FOR PLATELETS, ANTICOAGULANTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-01 US disclosed