Benzene

Benzene

SCHEMBL7777324

CCCCCCCCCCCCCCCCCCCC.c1ccccc1

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.73
THRB P10828 1/20 0.73
CHRM2 P08172 2/20 0.55
ADRA2A P08913 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
CHRM1 P11229 2/20 0.55
ACHE P22303 2/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 2/20 0.55
ABCB11 O95342 1/20 0.55
ESR1 P03372 1/20 0.55
PGR P06401 1/20 0.55
HTR1A P08908 1/20 0.55
DRD1 P21728 1/20 0.55
TBXA2R P21731 1/20 0.55
PTGS1 P23219 1/20 0.55
PDE4A P27815 1/20 0.55
ADRA1A P35348 1/20 0.55
OPRM1 P35372 1/20 0.55

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
Heptane SCHEMBL525073 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Octane SCHEMBL230047 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Dodecane SCHEMBL4276278 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Decane SCHEMBL8721425 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Decane SCHEMBL21835095 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Decane SCHEMBL2143566 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Nonane SCHEMBL8084281 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Heptane SCHEMBL11528917 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Tetradecane SCHEMBL21835096 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3
Hexadecane SCHEMBL8471184 1.00 TSHR (0.73) TSHRTHRBCHRM2ADRA2AADORA3

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-1123963-A1 Non-staining lubricating composition Mobil Oil Francaise (FR) 2001-08-16 EP claimed
CN-117304074-A High-carbon barium alkylbenzenesulfonate, preparation method and application 安徽金桐精细化学有限公司 2023-12-29 CN disclosed
CN-116940349-A Cannabinoid-containing compositions and uses for the treatment and prevention of diseases 麦氏生物科技有限公司 2023-10-24 CN disclosed
EP-1123963-A1 Non-staining lubricating composition Mobil Oil Francaise (FR) 2001-08-16 EP disclosed