Toluene

Toluene

SCHEMBL2212138

CC(C(=O)O)c1cc(O)[nH]n1.Cc1ccccc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
PTGS2 P35354 4/20 0.37
PTGS1 P23219 4/20 0.36
MAPT P10636 2/20 0.36
CXCR1 P25024 2/20 0.36
CXCR2 P25025 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
PMP22 Q01453 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CXCL8 P10145 1/20 0.36
THPO P40225 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL5049110 0.70 POLB (0.38) POLBPTGS2PTGS1MAPTCXCR1
SCHEMBL588772 0.69 LMNA (0.44) POLBKDM4EALDH1A1LMNACYP3A4
Toluene SCHEMBL27819683 0.68 LMNA (0.58) PTGS2MAPTSMN1; SMN2ALDH1A1LMNA
Toluene SCHEMBL27527983 0.68 LMNA (0.58) PTGS2MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL4059035 0.67 ALDH1A1 (0.45) POLBPTGS2KDM4EALDH1A1LMNA
Toluene SCHEMBL27517251 0.66 LMNA (0.55) PTGS2MAPTSMN1; SMN2ALDH1A1LMNA
Toluene SCHEMBL8908638 0.66 LMNA (0.55) PTGS2MAPTSMN1; SMN2ALDH1A1LMNA
Toluene SCHEMBL27885366 0.66 LMNA (0.55) PTGS2MAPTSMN1; SMN2ALDH1A1LMNA
Toluene SCHEMBL25341486 0.65 LMNA (0.52) PTGS2SMN1; SMN2ALDH1A1LMNAMAPK1
Toluene SCHEMBL18837396 0.65 LMNA (0.52) PTGS2MAPTSMN1; SMN2ALDH1A1LMNA

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
EP-2342203-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex SA (CH) 2011-07-13 EP disclosed