Toluic Acid

Toluic Acid

SCHEMBL7708419

CC(C)[C@H](N)C(=O)O.Cc1ccccc1C(=O)O

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.52
MYC P01106 1/20 0.50
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX15 P16050 1/20 0.43
POLB P06746 2/20 0.42
FABP4 P15090 1/20 0.42
MEN1 O00255 1/20 0.41
AKR1B10 O60218 1/20 0.41
TRPA1 O75762 1/20 0.41
ABCB11 O95342 1/20 0.41
DHFR P00374 1/20 0.41

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
Anthranilic Acid SCHEMBL2255713 0.83 SLC7A5 (0.52) SLC7A5MYCALDH1A1KDM4EHSD17B10
Valine SCHEMBL9449570 0.82 SLC7A5 (0.43) SLC7A5MYCSLC1A3SLC1A2SLC1A1
Toluic Acid SCHEMBL28647543 0.81 MYC (0.64) MYCALDH1A1HPGDKDM4EHSD17B10
Toluic Acid SCHEMBL27263197 0.81 MYC (0.64) MYCALDH1A1HPGDKDM4EHSD17B10
Toluic Acid SCHEMBL1666877 0.81 MYC (0.64) MYCALDH1A1HPGDKDM4EHSD17B10
Toluic Acid SCHEMBL29414127 0.81 ALDH1A1 (0.65) MYCALDH1A1HPGDKDM4EHSD17B10
Toluic Acid SCHEMBL4152 0.81 ALDH1A1 (0.65) MYCALDH1A1HPGDKDM4EHSD17B10
Toluic Acid SCHEMBL6571818 0.81 ALDH1A1 (0.65) MYCALDH1A1HPGDKDM4EHSD17B10
Toluic Acid SCHEMBL148201 0.81 ALDH1A1 (0.65) MYCALDH1A1HPGDKDM4EHSD17B10
Toluic Acid SCHEMBL28037745 0.81 ALDH1A1 (0.65) MYCALDH1A1HPGDKDM4EHSD17B10

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-6359211-B1 ORGANIC PHOTOSENSITIZING DYE, SAID DYE COMPRISING A CONJUGATED PORTION, SAID DYE BEING INCAPABLE OF COMPLEXING TO A TRANSITION METAL, ATTACHED TO SAID SEMICONDUCTOR THROUGH TWO OR MORE ATTACHMENT FUNCTIONS CHEMMOTIF, INC. 2002-03-19 US disclosed