Toluic Acid

Toluic Acid

SCHEMBL8146452

CCC(C)(C)C(=O)O.Cc1ccccc1C(=O)O

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ERCC5 P28715 1/20 0.45
▸ FEN1 P39748 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RIPK1 Q13546 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ AKR1B10 O60218 1/20 0.41
▸ TRPA1 O75762 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
Toluic Acid SCHEMBL29281084 0.81 ALDH1A1 (0.55) MYCALDH1A1HPGDKDM4EHSD17B10
Toluic Acid SCHEMBL6571818 0.81 ALDH1A1 (0.65) MYCALDH1A1HPGDKDM4EHSD17B10
Toluic Acid SCHEMBL148201 0.81 ALDH1A1 (0.65) MYCALDH1A1HPGDKDM4EHSD17B10
Toluic Acid SCHEMBL29414127 0.81 ALDH1A1 (0.65) MYCALDH1A1HPGDKDM4EHSD17B10
Toluic Acid SCHEMBL4152 0.81 ALDH1A1 (0.65) MYCALDH1A1HPGDKDM4EHSD17B10
Toluic Acid SCHEMBL28037745 0.81 ALDH1A1 (0.65) MYCALDH1A1HPGDKDM4EHSD17B10
Toluic Acid SCHEMBL5082150 0.80 ALDH1A1 (0.53) MYCALDH1A1HPGDKDM4EHSD17B10
Toluic Acid SCHEMBL27433951 0.80 ALDH1A1 (0.53) MYCALDH1A1HPGDKDM4EHSD17B10
Toluic Acid SCHEMBL5733469 0.79 ALDH1A1 (0.62) MYCALDH1A1HPGDKDM4EHSD17B10
Toluic Acid SCHEMBL1667350 0.79 ALDH1A1 (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049682-A1 OXAZOLIDINONE COMBINATORIAL LIBRARIES, COMPOSITIONS AND METHODS OF PREPARATION Versicor, Inc. (US) 2000-11-08 — — EP disclosed
WO-1999037630-A1 OXAZOLIDINONE COMBINATORIAL LIBRARIES, COMPOSITIONS AND METHODS OF PREPARATION VERSICOR, INC. (US) 1999-07-29 — — WO disclosed
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