Toluene

Toluene

SCHEMBL1245372

CC(=O)Cc1cc(CC(C)=O)c(C)c(CC(C)=O)c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
PTGS1 P23219 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 4/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
ACHE P22303 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TSPO P30536 1/20 0.37
CTBP2 P56545 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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 SCHEMBL1078154 1.00 L3MBTL1 (0.45) L3MBTL1PTGS1TDP1ALDH1A1LMNA
Toluene SCHEMBL1245378 1.00 L3MBTL1 (0.45) L3MBTL1PTGS1TDP1ALDH1A1LMNA
Toluene SCHEMBL7782221 1.00 L3MBTL1 (0.45) L3MBTL1PTGS1TDP1ALDH1A1LMNA
Toluene SCHEMBL1079482 0.83 L3MBTL1 (0.41) L3MBTL1TDP1ALDH1A1LMNASMN1; SMN2
Toluene SCHEMBL1159746 0.83 L3MBTL1 (0.41) L3MBTL1TDP1ALDH1A1LMNASMN1; SMN2
Toluene SCHEMBL8907280 0.83 L3MBTL1 (0.41) L3MBTL1TDP1ALDH1A1LMNASMN1; SMN2
Toluene SCHEMBL8994440 0.83 L3MBTL1 (0.41) L3MBTL1TDP1ALDH1A1LMNASMN1; SMN2
Toluene SCHEMBL9293029 0.80 L3MBTL1 (0.40) L3MBTL1PTGS1TDP1ALDH1A1LMNA
Toluene SCHEMBL2053140 0.80 L3MBTL1 (0.58) L3MBTL1PTGS1TDP1LMNATSHR
Toluene SCHEMBL1118344 0.80 L3MBTL1 (0.58) L3MBTL1PTGS1TDP1LMNATSHR

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-2464359-A2 N-SULFATED OLIGOSACCHARIDES ACTIVATING FGFS RECEPTORS, THEIR SYNTHESIS AND THEIR THERAPEUTICAL APPLICATION SANOFI (FR) 2012-06-20 EP disclosed
WO-2011018587-A2 FGF RECEPTOR-ACTIVATING N-SULFATE OLIGOSACCHARIDES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-02-17 WO disclosed