Benzene

Benzene

SCHEMBL29062198

CC(NO)C(=O)O.c1ccccc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ADAMTS4 O75173 1/20 0.38
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MME P08473 2/20 0.36
LTA4H P09960 2/20 0.36
ANPEP P15144 1/20 0.36
ECE1 P42892 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
SCHEMBL2214973 0.94
SCHEMBL1461150 0.94
Acetaldehyde SCHEMBL11218187 0.83 TP53 (0.36) HTTTP53ALDH1A1MAPTMEN1
SCHEMBL6982942 0.81 HTT (0.42) HTTALDH1A1MAPTADAMTS4MEN1
SCHEMBL17906185 0.74 MME (0.47) LMNASMN1; SMN2MMELTA4HANPEP
SCHEMBL2807366 0.71 TP53 (0.47) TP53ADAMTS4MME
SCHEMBL3808901 0.71 TP53 (0.47) TP53ADAMTS4MME
SCHEMBL4572684 0.71 TP53 (0.47) TP53ADAMTS4MME
SCHEMBL109878 0.71 TP53 (0.47) TP53ADAMTS4MME
SCHEMBL4572680 0.71 TP53 (0.47) TP53ADAMTS4MME

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-109906222-B Allosteric corticotropin releasing factor receptor 1 (CRFR 1) antagonists that reduce P-TAU and improve cognition 加利福尼亚大学董事会 2023-08-01 CN disclosed