Toluene

Toluene

SCHEMBL8735249

CC(C)c1cccc(C(C)C)c1.Cc1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.52
ACHE P22303 2/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
HDAC4 P56524 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MDM4 O15151 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
TYR P14679 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
CA5A P35218 1/20 0.45
HTT P42858 1/20 0.45

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
Isopropylbenzene SCHEMBL22653317 0.88 ACP3 (0.52) ALOX12ACHELMNATSHRHDAC4
Isopropylbenzene SCHEMBL3475008 0.87 LMNA (0.61) ALOX12ACHELMNATSHRSMN1; SMN2
Isopropylbenzene SCHEMBL338185 0.87 LMNA (0.61) ALOX12ACHELMNATSHRSMN1; SMN2
Benzene SCHEMBL7084450 0.87 HDAC4 (0.54) ALOX12LMNATSHRHDAC4HDAC8
Isopropylbenzene SCHEMBL11211487 0.86 ACP3 (0.55) ALOX12ACHELMNATSHRHDAC4
Hydrogen Peroxide SCHEMBL6284866 0.86 ACP3 (0.53) ALOX12ACHELMNAHDAC4HDAC8
SCHEMBL99347 0.85 ACHE (0.55) ALOX12ACHELMNAHDAC4HDAC8
SCHEMBL29352930 0.85 ACHE (0.55) ALOX12ACHELMNAHDAC4HDAC8
Isopropylbenzene SCHEMBL28305243 0.85 LMNA (0.58) ALOX12ACHELMNATSHRSMN1; SMN2
Isopropylbenzene SCHEMBL27936717 0.85 LMNA (0.58) ALOX12ACHELMNATSHRSMN1; SMN2

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
EP-0665240-B1 Poly(methacrylate)-Poly(methacrylic acid)-Blockcopolymers GOLDSCHMIDT AG TH (DE) 1998-04-01 EP disclosed
EP-0665240-A1 Poly(methylacrylate)-Poly(methacrylic acid)-Blockcopolymers Th. Goldschmidt AG (DE) 1995-08-02 EP disclosed