Toluene

Toluene

SCHEMBL1625231

CCCCC(CC)CC(CCCC)C(=O)O.Cc1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
CA2 P00918 2/20 0.50
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
SLC1A3 P43003 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
2-Ethylhexanoic Acid SCHEMBL2362729 0.86 CA2 (0.69) MAPK1CA2SLC1A2SLC1A1SLC1A3
SCHEMBL867735 0.86 CA2 (0.67) MAPK1CA2SLC1A2SLC1A1SLC1A3
2-Ethylhexanoic Acid SCHEMBL28286573 0.84 CA2 (0.67) MAPK1CA2SLC1A2SLC1A1SLC1A3
2-Ethylhexanoic Acid SCHEMBL18917645 0.84 CA2 (0.67) MAPK1CA2SLC1A2SLC1A1SLC1A3
2-Ethylhexanoic Acid SCHEMBL28031054 0.84 CA2 (0.67) MAPK1CA2SLC1A2SLC1A1SLC1A3
2-Ethylhexanoic Acid SCHEMBL28285129 0.84 CA2 (0.67) MAPK1CA2SLC1A2SLC1A1SLC1A3
2-Ethylhexanoic Acid SCHEMBL20502948 0.84 CA2 (0.67) MAPK1CA2SLC1A2SLC1A1SLC1A3
2-Ethylhexanoic Acid SCHEMBL19348931 0.84 CA2 (0.67) MAPK1CA2SLC1A2SLC1A1SLC1A3
2-Ethylhexanoic Acid SCHEMBL20393998 0.84 CA2 (0.67) MAPK1CA2SLC1A2SLC1A1SLC1A3
2-Ethylhexanoic Acid SCHEMBL28325292 0.84 CA2 (0.67) MAPK1CA2SLC1A2SLC1A1SLC1A3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1897901-B1 BIODEGRADABLE POLYMER, PRODUCTION METHOD THEREOF, MOLDED PRODUCT THEREOF, AND USE THEREOF MITSUI CHEMICALS INC (JP) 2015-03-11 EP disclosed
US-7928180-B2 Biodegradable polymer, production method thereof, molded product thereof, and use thereof MITSUI CHEMICALS, INC. (JP) 2011-04-19 US disclosed
US-20090142982-A1 Biodegradable Polymer, Production Method Thereof, Molded Product Thereof, and Use Thereof MITSUI CHEMICALS INC. (JP) 2009-06-04 US disclosed
EP-1897901-A1 BIODEGRADABLE POLYMER, PRODUCTION METHOD THEREOF, MOLDED PRODUCT THEREOF, AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2008-03-12 EP disclosed