Benzene

Benzene

SCHEMBL23581102

CCCC.CCCOOCCC.c1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.32
LTA4H P09960 2/20 0.32
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL296293 0.84
SCHEMBL27311092 0.81
Ammonia Solution, Strong SCHEMBL9929239 0.81
Bicarbonate SCHEMBL11291201 0.76 HCAR2 (0.42) KMT2AMEN1ALDH1A1LMNATSHR
Bicarbonate SCHEMBL6271959 0.76 HCAR2 (0.42) KMT2AMEN1ALDH1A1LMNATSHR
Benzene SCHEMBL394543 0.76 TSHR (0.38) KMT2AMEN1LMNATSHR
Benzene SCHEMBL27771080 0.74 HSD17B10 (0.41) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL3288791 0.74
SCHEMBL7907593 0.71 MEN1 (0.36) KMT2AMEN1TSHR
SCHEMBL4231961 0.71

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
WO-2021129232-A1 PERMEABLE REGENERATED SAND-CONTAINING FOG SEAL LAYER MATERIAL AND PREPARATION METHOD THEREFOR 江苏中路交通科学技术有限公司 2021-07-01 WO disclosed