Toluene

Toluene

SCHEMBL28874682

CCCCOC(=O)CCCCC(=O)O.Cc1ccccc1.N=C=O.N=C=O

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.42
LTA4H P09960 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PPARA Q07869 2/20 0.42
PLA2G4B P0C869 1/20 0.41
GAA P10253 1/20 0.41
PAM P19021 2/20 0.41
EPHX2 P34913 1/20 0.40

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 SCHEMBL28074309 0.89 DGKA (0.55) DGKAL3MBTL1TSHRTDP1LTA4H
Toluene SCHEMBL28574254 0.86 TSHR (0.53) DGKAL3MBTL1TSHRTDP1LTA4H
Stearic Acid SCHEMBL27904761 0.84 GPR84 (0.55) TSHRTDP1MEN1KMT2AALDH1A1
Toluene SCHEMBL28304376 0.83 DGKA (0.61) DGKATSHRALDH1A1PAMEPHX2
Toluene SCHEMBL28296748 0.83 DGKA (0.61) DGKATSHRALDH1A1PAMEPHX2
Adipic Acid SCHEMBL28041700 0.83 HDAC3 (0.48) L3MBTL1TSHRKMT2AALDH1A1
Toluene SCHEMBL10334155 0.82 DGKA (0.51) DGKAL3MBTL1TSHRTDP1LTA4H
Acetic Acid Butyl Ester SCHEMBL27698806 0.82 ALDH1A1 (0.55) L3MBTL1TSHRTDP1MEN1KMT2A
Toluene SCHEMBL28479130 0.81 CYP4F2 (0.56) LTA4HALDH1A1
Toluene SCHEMBL27707297 0.80 L3MBTL1 (0.46) L3MBTL1TSHRTDP1NPC1LTA4H

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
CN-115124835-B High-humidity-heat-resistant hole plugging resin and resin hole plugging method 深圳市板明科技股份有限公司 2022-12-06 CN claimed
CN-115124835-A High-humidity-heat-resistant hole plugging resin and resin hole plugging method 深圳市板明科技股份有限公司 2022-09-30 CN claimed
CN-115124835-B High-humidity-heat-resistant hole plugging resin and resin hole plugging method 深圳市板明科技股份有限公司 2022-12-06 CN disclosed
CN-115124835-A High-humidity-heat-resistant hole plugging resin and resin hole plugging method 深圳市板明科技股份有限公司 2022-09-30 CN disclosed