Benzene

Benzene

SCHEMBL27853973

c1ccc(C2CCCCC2)c(C2CCCCC2)c1.c1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.52
PTGS2 P35354 1/20 0.46
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
SLC18A3 Q16572 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP19A1 P11511 1/20 0.42
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
CEL P19835 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR2C P28335 1/20 0.40
CYP11B2 P19099 1/20 0.40
KMO O15229 1/20 0.39

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
Hydrogen Peroxide SCHEMBL3679819 0.97 PTGDR2 (0.55) PTGDR2PTGS2BCHEACHECHRNB4
Hydrogen Peroxide SCHEMBL11398422 0.97 PTGDR2 (0.55) PTGDR2PTGS2BCHEACHECHRNB4
SCHEMBL42781 0.97 PTGDR2 (0.48) PTGDR2PTGS2BCHEACHECHRNB4
SCHEMBL779938 0.94 CHRNB4 (0.46) PTGDR2PTGS2BCHEACHECHRNB4
SCHEMBL28904978 0.90 PTGDR2 (0.44) PTGDR2PTGS2BCHEACHECHRNB4
SCHEMBL11701290 0.86 CHRNB4 (0.52) PTGDR2PTGS2BCHEACHECHRNB4
SCHEMBL11704954 0.86 CHRNB4 (0.52) PTGDR2PTGS2BCHEACHECHRNB4
SCHEMBL2913620 0.86 CHRNB4 (0.44) PTGDR2PTGS2CHRNB4CHRNA3HTR2C
SCHEMBL4476575 0.84 PTGS2 (0.56) PTGDR2PTGS2BCHEACHE
SCHEMBL11704162 0.83 CHRNB4 (0.54) PTGDR2PTGS2BCHEACHECHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015589-B Process for producing cyclohexylbenzene EXXONMOBIL CHEM PATENTS INC 2013-05-29 CN disclosed
CN-102015589-A Process for producing cyclohexylbenzene EXXONMOBIL CHEM PATENTS INC 2011-04-13 CN disclosed