Toluene

Toluene

SCHEMBL11851365

CCOC(=O)CS.Cc1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TSHR P16473 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ PPID Q08752 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ CYP4F2 P78329 1/20 0.45
▸ CYP4A11 Q02928 1/20 0.45
▸ PIN1 Q13526 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42

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 SCHEMBL11845704 0.87 LMNA (0.51) KMT2ATSHRSMN1; SMN2ALDH1A1GAA
Biphenyl SCHEMBL10591521 0.87 SMN1; SMN2 (0.48) MEN1KMT2ATSHRSMN1; SMN2PPID
Toluene SCHEMBL11846816 0.84 TSHR (0.51) MEN1KMT2ATSHRSMN1; SMN2ALDH1A1
Ethyl Propionate SCHEMBL27658259 0.84 MEN1 (0.52) MEN1KMT2ATSHRSMN1; SMN2PPID
Toluene SCHEMBL11852942 0.84 ALDH1A1 (0.58) KMT2AALDH1A1LMNANPC1MAPT
SCHEMBL10591534 0.84 MEN1 (0.45) MEN1KMT2ATSHRSMN1; SMN2PPID
Toluene SCHEMBL9811805 0.82 CYP4F2 (0.50) MEN1KMT2ATSHRSMN1; SMN2PPID
Toluene SCHEMBL11859149 0.82 TSHR (0.60) MEN1KMT2ATSHRSMN1; SMN2ALDH1A1
Toluene SCHEMBL11857845 0.82 TSHR (0.50) KMT2ATSHRALDH1A1LMNANPC1
SCHEMBL476548 0.81 GAA (0.60) TSHRALDH1A1CYP4F2CYP4A11GAA

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
US-3988375-A HERBICIDES MONSANTO COMPANY (US) 1976-10-26 — — US disclosed
Send feedback