Toluene

Toluene

SCHEMBL9774676

CCC(C)c1ccc(O)c(C(=O)O)c1.Cc1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 1/20 0.50
▸ MCL1 Q07820 6/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ HPGD P15428 4/20 0.49
▸ HSD17B10 Q99714 4/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ GRM1 Q13255 1/20 0.48
▸ HDAC4 P56524 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HNF4A P41235 2/20 0.44

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
SCHEMBL5885088 0.91 ALDH1A1 (0.57) CSNK2A1MCL1ALDH1A1HPGDHSD17B10
SCHEMBL9774603 0.83 MCL1 (0.44) CSNK2A1MCL1ALDH1A1HPGDHSD17B10
SCHEMBL10138484 0.81 ALDH1A1 (0.50) MCL1ALDH1A1HPGDHSD17B10ALOX15
SCHEMBL9769812 0.79 HNF4A (0.54) CSNK2A1MCL1ALDH1A1HPGDHSD17B10
SCHEMBL13205997 0.79 ALDH1A1 (0.53) CSNK2A1MCL1ALDH1A1HPGDHSD17B10
SCHEMBL15458032 0.79 MCL1 (0.47) MCL1ALDH1A1HPGDHSD17B10ALOX15
SCHEMBL10174227 0.79 ALDH1A1 (0.56) MCL1ALDH1A1HPGDHSD17B10ALOX15
SCHEMBL9908617 0.79 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10ALOX15GAA
SCHEMBL1355525 0.78 HSD17B10 (0.53) MCL1ALDH1A1HPGDHSD17B10ALOX15
SCHEMBL683263 0.78 HPGD (0.53) ALDH1A1HPGDHSD17B10ALOX15GAA

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-5034370-A Reaction product of a salicylic acid derivative with formaldehyde and an aromatic compound SUMITOMO DUREZ COMPANY, LTD. (JP) 1991-07-23 — — US disclosed
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