Toluene

Toluene

SCHEMBL28877470

Cc1ccccc1.Clc1ccccc1.O=C1CCCCC1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
TRIM24 O15164 2/20 0.42
TRIM33 Q9UPN9 2/20 0.42
ALOX12 P18054 1/20 0.42
ACHE P22303 1/20 0.42
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPT P10636 3/20 0.34
TP53 P04637 1/20 0.34
PTGS2 P35354 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
Toluene SCHEMBL27890798 0.90 TRIM24 (0.52) LMNAALDH1A1TSHRTRIM24TRIM33
Toluene SCHEMBL1635353 0.90 TRIM24 (0.52) LMNAALDH1A1TSHRTRIM24TRIM33
Chlorobenzene SCHEMBL17238758 0.90 TRIM24 (0.52) LMNAALDH1A1TSHRTRIM24TRIM33
Cycloheptanone SCHEMBL28118482 0.90 TRIM24 (0.52) LMNAALDH1A1TSHRTRIM24TRIM33
Toluene SCHEMBL28202304 0.88 TRIM24 (0.50) LMNAALDH1A1TSHRTRIM24TRIM33
P-Xylene SCHEMBL28222223 0.88 TRIM24 (0.50) LMNAALDH1A1TSHRTRIM24TRIM33
Toluene SCHEMBL10011124 0.88 LMNA (0.55) LMNAALDH1A1TSHRTRIM24TRIM33
O-Xylene SCHEMBL28222227 0.84 TSHR (0.46) LMNAALDH1A1TSHRTRIM24TRIM33
Toluene SCHEMBL10477900 0.81 TRIM24 (0.42) LMNAALDH1A1TSHRTRIM24TRIM33
Toluene SCHEMBL3755843 0.81 ALDH1A1 (0.42) LMNAALDH1A1TSHRTRIM24TRIM33

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-110404294-A Porous nano compound oil absorption material and its preparation method and application, oil and water treatment equipment SHENZHEN INST OF ADV TECH CAS 2019-11-05 CN claimed
CN-110404294-A Porous nano compound oil absorption material and its preparation method and application, oil and water treatment equipment SHENZHEN INST OF ADV TECH CAS 2019-11-05 CN disclosed