Benzene

Benzene

SCHEMBL28056879

Cc1cc(OCc2ccccc2)ccc1C(=O)O.c1ccccc1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.64
NR4A2 P43354 2/20 0.61
NR4A1 P22736 1/20 0.61
NR4A3 Q92570 1/20 0.61
MCL1 Q07820 3/20 0.56
SRD5A2 P31213 2/20 0.56
MRGPRX4 Q96LA9 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
LTB4R Q15722 1/20 0.55
LTB4R2 Q9NPC1 1/20 0.55
P4HTM Q9NXG6 1/20 0.55
SLC16A3 O15427 1/20 0.54
BAK1 Q16611 1/20 0.54
PARP10 Q53GL7 1/20 0.54
PLA2G4B P0C869 1/20 0.54
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
MDH2 P40926 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL1022035 1.00 MAOB (0.64) MAOBNR4A2NR4A1NR4A3MCL1
Hydrochloric Acid SCHEMBL9440598 0.98 MAOB (0.62) MAOBNR4A2NR4A1NR4A3MCL1
SCHEMBL588979 0.89 MAOB (0.76) MAOBNR4A2NR4A1NR4A3ALDH1A1
SCHEMBL9440593 0.88 MAOB (0.61) MAOBNR4A2NR4A1NR4A3MCL1
SCHEMBL10974452 0.88 MAOB (0.61) MAOBNR4A2NR4A1NR4A3MCL1
SCHEMBL3740175 0.88 RAB9A (0.66) MAOBMRGPRX4MEN1KMT2APLA2G4B
SCHEMBL2328705 0.88 MAOB (0.60) MAOBNR4A2NR4A1NR4A3MCL1
SCHEMBL14315506 0.87 SRD5A2 (0.60) MAOBNR4A2NR4A1NR4A3SRD5A2
SCHEMBL17958912 0.87 MAOB (0.59) MAOBNR4A2NR4A1NR4A3MRGPRX4
SCHEMBL7881166 0.87 MAOB (0.59) MAOBNR4A2NR4A1NR4A3MRGPRX4

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-105518014-A C-aryl glucoside derivative, preparation method and application thereof in medicine JIANGSU HANSOH PHARMACEUTICAL 2016-04-20 CN disclosed