Benzene

Benzene

SCHEMBL28700433

C/C=C(\C)C(=O)O.c1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.50
MAPT P10636 1/20 0.40
PTGS1 P23219 1/20 0.39
CYP2C9 P11712 1/20 0.38
FFAR3 O14843 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
APEX1 P27695 8/20 0.36
HTT P42858 1/20 0.35
GLA P06280 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL871351 0.93 FFAR3 (0.43) AKR1C3MAPTPTGS1CYP2C9FFAR3
SCHEMBL338643 0.93 FFAR3 (0.43) AKR1C3MAPTPTGS1CYP2C9FFAR3
SCHEMBL15042 0.93
SCHEMBL1396002 0.93 FFAR3 (0.43) AKR1C3MAPTPTGS1CYP2C9FFAR3
SCHEMBL18814 0.93
SCHEMBL8163204 0.93 FFAR3 (0.43) AKR1C3MAPTPTGS1CYP2C9FFAR3
SCHEMBL133954 0.93
SCHEMBL9501294 0.90
SCHEMBL1615808 0.90
SCHEMBL1021693 0.90

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-114106966-A Preparation method of wheat starter and brewing process of yellow wine 绍兴润博生物科技有限公司 2022-03-01 CN disclosed