Benzene

Benzene

SCHEMBL28859784

NC(=O)/C=C\C(=O)O.c1ccccc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.56
▸ TP53 P04637 1/20 0.56
▸ EGLN1 Q9GZT9 1/20 0.56
▸ EGLN3 Q9H6Z9 1/20 0.56
▸ HCAR2 Q8TDS4 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ TNKS O95271 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 2/20 0.39

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
Maleic Acid SCHEMBL4304790 0.94 TSHR (0.64) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL1164653 0.94 TSHR (0.64) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL28092825 0.94 TSHR (0.64) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL34552 0.94 — —
SCHEMBL2167689 0.94 — —
Fumaric Acid SCHEMBL9170981 0.94 TSHR (0.64) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL14359 0.94 — —
SCHEMBL5156781 0.90 — —
SCHEMBL3442849 0.90 — —
SCHEMBL9364041 0.90 — —

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-108101976-A A kind of N-terminal special human DNA mismatch repair protein MLH1 polypeptides and its preparation method for antibody 南京瑞姆生物科技有限公司 2018-06-01 — — CN disclosed
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