Toluene

Toluene

SCHEMBL28596113

CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.Cc1ccccc1

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.81
ALDH1A1 P00352 3/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 4/20 0.52
LMNA P02545 1/20 0.52
ALOX12 P18054 1/20 0.52
ACHE P22303 1/20 0.52
TAAR1 Q96RJ0 1/20 0.38
KIF11 P52732 3/20 0.37
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
CYP3A4 P08684 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
KCNN4 O15554 3/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL11205909 0.93 MAPK1 (0.77) MAPK1ALDH1A1ALOX15TSHRLMNA
SCHEMBL8939342 0.90 MAPK1 (1.00) MAPK1ALDH1A1ALOX15TSHRTAAR1
SCHEMBL15450 0.90 MAPK1 (1.00) MAPK1ALDH1A1ALOX15TSHRTAAR1
Benzene SCHEMBL25312146 0.90 MAPK1 (1.00) MAPK1ALDH1A1ALOX15TSHRTAAR1
SCHEMBL27506519 0.90 MAPK1 (1.00) MAPK1ALDH1A1ALOX15TSHRTAAR1
SCHEMBL30089546 0.87 MAPK1 (0.94) MAPK1ALDH1A1ALOX15TSHRTAAR1
Hydrogen Peroxide SCHEMBL22163808 0.87 MAPK1 (0.94) MAPK1ALDH1A1ALOX15TSHRTAAR1
SCHEMBL28492385 0.87 MAPK1 (0.94) MAPK1ALDH1A1ALOX15TSHRTAAR1
SCHEMBL31655460 0.87 MAPK1 (0.94) MAPK1ALDH1A1ALOX15TSHRTAAR1
Ethane SCHEMBL28682771 0.87 MAPK1 (0.94) MAPK1ALDH1A1ALOX15TSHRTAAR1

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
CN-110205077-B Hydrolysis-resistant solvent type polyurethane adhesive 南宝树脂(佛山)有限公司 2021-07-30 CN claimed
CN-113817105-A Preparation method of high-bonding-strength EVA (ethylene-vinyl acetate) film for glass fiber reinforced plastic interlayer 安徽省阳明达新材料科技有限公司 2021-12-21 CN disclosed