Toluene

Toluene

SCHEMBL4361622

Cc1ccccc1.Oc1ccccc1N(c1ccccc1O)c1ccccc1O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
TSHR P16473 3/20 0.50
ACHE P22303 3/20 0.50
ALOX12 P18054 1/20 0.50
MAPT P10636 4/20 0.39
HPGD P15428 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 2/20 0.39
NFKB1 P19838 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA2 P00918 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.39
GMNN O75496 1/20 0.39
EGFR P00533 1/20 0.39
FYN P06241 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4363784 0.85 ALDH1A1 (0.53) LMNATSHRMAPTHPGDALDH1A1
SCHEMBL21397661 0.84 CYP2C19 (0.40) LMNATSHRACHEALOX12MAPT
SCHEMBL8045724 0.83 ALDH1A1 (0.39) LMNATSHRACHEALOX12MAPT
Catechol SCHEMBL15618947 0.80 ACHE (0.69) LMNATSHRACHEALOX12MAPT
SCHEMBL3439648 0.78 HDAC8 (0.36) LMNATSHRACHEMAPTALDH1A1
Catechol SCHEMBL11596974 0.78 LMNA (0.65) LMNATSHRACHEALOX12MAPT
SCHEMBL184114 0.76 ALDH1A1 (0.43) LMNATSHRMAPTHPGDALDH1A1
Toluene SCHEMBL9622812 0.74
Toluene SCHEMBL27883778 0.74 ACHE (0.92) LMNATSHRACHEALOX12MAPT
Toluene SCHEMBL16987218 0.73 LMNA (0.58) LMNATSHRACHEALOX12MAPT

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-1777239-B1 Half-metallocene catalyst and process for preparing syndiotactic styrene polymer using the same LG CHEMICAL LTD (KR) 2014-09-10 EP disclosed
US-7592404-B2 Half metallocene catalyst and process for preparing syndiotactic styren polymer using the same LG CHEM, LTD. (KR) 2009-09-22 US disclosed
US-20070105710-A1 Half metallocene catalyst and process for preparing syndiotactic styren polymer using the same LG CHEM, LTD. (KR) 2007-05-10 US disclosed
EP-1777239-A1 Half-metallocene catalyst and process for preparing syndiotactic styrene polymer using the same LG Chem Ltd. (KR) 2007-04-25 EP disclosed