Toluene

Toluene

SCHEMBL28111602

CCOC(=O)CCC(C)=O.Cc1ccccc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
CYP4F2 P78329 3/20 0.50
CYP4A11 Q02928 3/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TOP2A P11388 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ALOX5 P09917 1/20 0.44
NOTUM Q6P988 1/20 0.44
TSHR P16473 1/20 0.44
PTPN1 P18031 1/20 0.43
CREBBP Q92793 1/20 0.43

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
Benzene SCHEMBL9185503 0.89 SMN1; SMN2 (0.51) SMN1; SMN2CYP4F2CYP4A11MEN1KMT2A
Toluene SCHEMBL242077 0.87 SMN1; SMN2 (0.57) SMN1; SMN2CYP4F2CYP4A11MEN1KMT2A
Toluene SCHEMBL28096369 0.85 CYP4F2 (0.61) SMN1; SMN2CYP4F2CYP4A11MEN1KMT2A
Toluene SCHEMBL8513838 0.85 SMN1; SMN2 (0.54) SMN1; SMN2CYP4F2CYP4A11MEN1KMT2A
Toluene SCHEMBL28675004 0.85 SMN1; SMN2 (0.51) SMN1; SMN2CYP4F2CYP4A11MEN1KMT2A
Toluene SCHEMBL27384298 0.84 SMN1; SMN2 (0.54) SMN1; SMN2CYP4F2CYP4A11MEN1KMT2A
Toluene SCHEMBL11727486 0.84 CYP4F2 (0.56) SMN1; SMN2CYP4F2CYP4A11MEN1KMT2A
Toluene SCHEMBL573822 0.84 CYP4F2 (0.56) SMN1; SMN2CYP4F2CYP4A11MEN1KMT2A
Toluene SCHEMBL8882403 0.84 GAA (0.50) SMN1; SMN2CYP4F2CYP4A11MEN1KMT2A
Toluene SCHEMBL27711158 0.84 CYP1A2 (0.55) SMN1; SMN2CYP4F2CYP4A11MEN1KMT2A

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
CN-102834370-B The preparation method of 1-amino-1-alkoxy carbonyl-2-vinylcyclopropane 株式会社API 2016-11-23 CN disclosed