Benzene

Benzene

SCHEMBL28101102

CCOC(=O)CC(=O)O.c1ccccc1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.67
▸ MGAM O43451 1/20 0.67
▸ SI P14410 1/20 0.67
▸ MGAM2 Q2M2H8 1/20 0.67
▸ ALDH1A1 P00352 5/20 0.48
▸ TRPA1 O75762 1/20 0.48
▸ PPID Q08752 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ EGLN1 Q9GZT9 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NLRP3 Q96P20 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL15376 0.95 — —
SCHEMBL30741390 0.95 GAA (0.74) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3201235 0.92 GAA (0.70) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL356491 0.92 GAA (0.70) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3196229 0.92 GAA (0.70) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11097044 0.92 GAA (0.70) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL83057 0.92 GAA (0.70) GAAMGAMSIMGAM2ALDH1A1
Ammonia Solution, Strong SCHEMBL8767262 0.92 GAA (0.70) GAAMGAMSIMGAM2ALDH1A1
Water SCHEMBL2811574 0.92 GAA (0.70) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1068040 0.92 GAA (0.70) GAAMGAMSIMGAM2ALDH1A1

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-105980345-A Method for continuously producing ketomalonic acid compound using flow reactor 庵原化学工业株式会社 2016-09-28 — — CN disclosed
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