Toluene

Toluene

SCHEMBL6404496

Cc1ccccc1.O=C(O)OCCOC(=O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
TSHR P16473 3/20 0.50
ALOX12 P18054 1/20 0.50
ACHE P22303 1/20 0.50
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
MEN1 O00255 2/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41

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
P-Xylene SCHEMBL11040150 0.91 L3MBTL1 (0.50) LMNANPC1RAB9AKMT2ATDP1
Toluene SCHEMBL6619657 0.84 ALDH1A1 (0.55) LMNATSHRALOX12ACHENPC1
SCHEMBL11416301 0.81 FFAR1 (0.47) LMNATDP1L3MBTL1SMN1; SMN2
Benzene SCHEMBL11037140 0.80 TDP1 (0.42) LMNATSHRNPC1RAB9ATDP1
SCHEMBL17311129 0.79 FFAR1 (0.46) LMNATDP1L3MBTL1SMN1; SMN2
SCHEMBL872143 0.77 HCAR2 (0.61) LMNATSHRNPC1RAB9ATDP1
Toluene SCHEMBL27369787 0.77 LMNA (0.73) LMNATSHRALOX12ACHENPC1
Toluene SCHEMBL7355317 0.77 LMNA (0.73) LMNATSHRALOX12ACHENPC1
Toluene SCHEMBL2914390 0.77 LMNA (0.73) LMNATSHRALOX12ACHENPC1
Toluene SCHEMBL48134 0.77 LMNA (0.73) LMNATSHRALOX12ACHENPC1

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
US-6930151-B2 Star block copolymers comprising polyisobutylene-B-polyacrylonitrile arms radiating from an aromatic core UNIVERSITY OF AKRON (US) 2005-08-16 US disclosed
US-20030236354-A1 Star block copolymers comprising polyisobutylene-B-polyacrylonitrile arms radiating from an aromatic core AKRON, THE UNIVERSITY OF 2003-12-25 US disclosed