Benzene

Benzene

SCHEMBL28172129

CC(C)C(O)C(C)(C)CO.c1ccccc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.55
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
VNN1 O95497 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
PTGS1 P23219 1/20 0.31
KCNH2 Q12809 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL20721697 0.92 TRPA1 (0.45) TRPA1TSHRPTGS1KCNH2TDP1
SCHEMBL17072023 0.92 TRPA1 (0.45) TRPA1TSHRPTGS1KCNH2TDP1
SCHEMBL19645 0.92 TRPA1 (0.45) TRPA1TSHRPTGS1KCNH2TDP1
SCHEMBL10818718 0.90 TRPA1 (0.43) TRPA1TSHRPTGS1KCNH2TDP1
Benzene SCHEMBL28271106 0.89 TRPA1 (0.47) TRPA1SLC6A2SLC6A4SLC6A3VNN1
Bicarbonate SCHEMBL4019509 0.88 TRPA1 (0.44) TRPA1VNN1PTGS1KCNH2
Alcohol SCHEMBL6578240 0.87 TRPA1 (0.42) TRPA1TSHRPTGS1KCNH2TDP1
Ethylene Glycol SCHEMBL28152293 0.87 TRPA1 (0.42) TRPA1TSHRPTGS1KCNH2TDP1
Ethylene Glycol SCHEMBL2832859 0.87 TRPA1 (0.42) TRPA1TSHRPTGS1KCNH2TDP1
Acetic Acid SCHEMBL783209 0.86 TRPA1 (0.42) TRPA1VNN1PTGS1KCNH2TDP1

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
CN-107107564-B The multilayer middle layer that anti-defect is formed 首诺公司 2019-04-16 CN disclosed
CN-105283314-B Polymer interlayers having improved optical properties 首诺公司 2018-05-22 CN disclosed
CN-107107564-A The multilayer intermediate layer of anti-defect formation 首诺公司 2017-08-29 CN disclosed