Benzene

Benzene

SCHEMBL27768484

CCCOc1cccc2c1CC(C(=O)O)N2.c1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.38
MTNR1A P48039 2/20 0.37
KMT2A Q03164 2/20 0.37
S1PR5 Q9H228 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
HIF1A Q16665 1/20 0.36

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
Benzene SCHEMBL27790053 0.94 DRD2 (0.47) MAPTGAADRD2DRD3HTR2B
SCHEMBL7669208 0.89 GAA (0.48) MAPTGAADRD2DRD3HTR2A
SCHEMBL13229755 0.85 S1PR5 (0.53) MAPTGAADRD2DRD3S1PR5
SCHEMBL27768482 0.84 S1PR5 (0.51) MAPTGAADRD2DRD3S1PR5
SCHEMBL27790051 0.83 S1PR5 (0.47) MAPTGAADRD2DRD3S1PR5
SCHEMBL7660514 0.82 DRD2 (0.52) MAPTGAADRD2DRD3ALDH1A1
SCHEMBL926564 0.82 DRD2 (0.52) MAPTGAADRD2DRD3ALDH1A1
SCHEMBL12628272 0.82 BRD4 (0.49) MAPTGAADRD2DRD3ALDH1A1
SCHEMBL12596308 0.81 DRD2 (0.48) MAPTGAADRD2DRD3ALDH1A1
1,2-Dimethoxybenzene SCHEMBL27572044 0.80 GAA (0.53) MAPTGAADRD2DRD3ALDH1A1

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-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN disclosed