Toluene

Toluene

SCHEMBL10600992

Cc1ccccc1.O=CCCC(=O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
RAB9A P51151 3/20 0.47
NR4A2 P43354 1/20 0.45
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KEAP1 Q14145 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
FFAR1 O14842 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
M-Xylene SCHEMBL10601019 0.89 KMT2A (0.46) KMT2ARAB9ANR4A2TSHRACHE
O-Xylene SCHEMBL27464940 0.88 NR4A2 (0.45) KMT2ARAB9ANR4A2LMNATSHR
Succinic Acid SCHEMBL6574726 0.87 KMT2A (0.61) KMT2ARAB9ANR4A2LMNATSHR
Succinic Acid SCHEMBL23045112 0.87 KMT2A (0.61) KMT2ARAB9ANR4A2LMNATSHR
P-Cresol SCHEMBL10676708 0.85 KMT2A (0.52) KMT2ARAB9AACHEALDH1A1L3MBTL1
Biphenyl SCHEMBL28382562 0.83 FFAR1 (0.57) RAB9ANR4A2LMNATSHRALDH1A1
SCHEMBL10503491 0.83 KMT2A (0.50) KMT2ARAB9ALMNATSHRALDH1A1
SCHEMBL10598086 0.80 KDM4E (0.41) NR4A2TSHRALDH1A1GAAFFAR1
Fluorobenzene SCHEMBL10599852 0.80 NR4A2 (0.45) RAB9ANR4A2LMNATSHRALDH1A1
Chlorobenzene SCHEMBL10599624 0.80 NR4A2 (0.45) KMT2ARAB9ANR4A2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0115133-B1 SPIRO-3-HETERO-AZOLONES FOR TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1989-01-25 EP disclosed
US-4556670-A Spiro-3-hetero-azolones for treatment of diabetic complications PFIZER INC. (US) 1985-12-03 US disclosed
EP-0115133-A1 Spiro-3-hetero-azolones for treatment of diabetic complications PFIZER INC. (US) 1984-08-08 EP disclosed