Benzene

Benzene

SCHEMBL29148570

CC(C)(C)c1cc(-c2ccccc2)cc(C(C)(C)C)c1O.c1ccccc1

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.74
CA1 P00915 2/20 0.74
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.52
TYR P14679 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PTPN1 P18031 1/20 0.50
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
TNFRSF1A P19438 1/20 0.47
HPN P05981 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47

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
SCHEMBL426214 1.00 CA2 (0.74) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL13840641 0.98 CA2 (0.71) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL8990142 0.90 CA2 (0.59) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL13840639 0.88 CYP1A2 (0.78) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL21753677 0.88 CA2 (0.57) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL13779478 0.88 CA2 (0.63) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL28107992 0.88 CA2 (0.57) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL6346254 0.87 CRHBP (0.66) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL803157 0.86 CA2 (1.00) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL510694 0.86 CA2 (0.59) CA2CA1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114514285-B Thermoplastic resin composition, method for preparing the same, and molded article comprising the same 株式会社LG化学 2024-01-26 CN disclosed