Toluene

Toluene

SCHEMBL8437863

Cc1ccc(CO)cc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
LMNA P02545 2/20 0.55
ALOX12 P18054 1/20 0.55
ACHE P22303 1/20 0.55
LTA4H P09960 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IDO1 P14902 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HTT P42858 1/20 0.43
CYP2C19 P33261 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 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
Toluene SCHEMBL8444299 1.00 TSHR (0.62) TSHRLMNAALOX12ACHELTA4H
Toluene SCHEMBL1434902 1.00 TSHR (0.62) TSHRLMNAALOX12ACHELTA4H
Toluene SCHEMBL2059470 1.00 TSHR (0.62) TSHRLMNAALOX12ACHELTA4H
Toluene SCHEMBL3690502 1.00 TSHR (0.62) TSHRLMNAALOX12ACHELTA4H
Toluene SCHEMBL6529015 1.00 TSHR (0.62) TSHRLMNAALOX12ACHELTA4H
Toluene SCHEMBL10802361 1.00 TSHR (0.62) TSHRLMNAALOX12ACHELTA4H
Toluene SCHEMBL10600522 1.00 TSHR (0.62) TSHRLMNAALOX12ACHELTA4H
Benzyl Alcohol SCHEMBL28267540 0.95 TSHR (0.70) TSHRLMNAALOX12ACHELTA4H
Benzyl Alcohol SCHEMBL8776781 0.92 TSHR (0.74) TSHRLMNAALOX12ACHELTA4H
P-Xylene SCHEMBL27953211 0.92 TSHR (0.74) TSHRLMNAALOX12ACHELTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764686-B1 Hybrid s-triazine light stabilizers substituted by benzotriazole or benzophenone moieties and compositions stabilized therewith CIBA GEIGY AG (CH) 1999-06-16 EP disclosed
EP-0764686-A1 Hybrid s-triazine light stabilizers substituted by benzotriazole or benzophenone moieties and compositions stabilized therewith Ciba SC Holding AG (CH) 1997-03-26 EP disclosed
US-5585422-A PROTECT POLYMERS FROM DELETERIOUS EFFECTS OF ACTINIC RADIATION AS WELL AS GOOD RESISTANCE TO LOSS BY VOLATILIZATION DURING PROCESSING CIBA-GEIGY CORPORATION (US) 1996-12-17 US disclosed