Benzene

Benzene

SCHEMBL11711818

C=C(CC(=O)c1ccc(Br)cc1)C(=O)O.c1ccccc1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 2/20 0.59
GSK3B P49841 3/20 0.52
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 3/20 0.47
CES1 P23141 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL10649708 0.98 HAO1 (0.61) HAO1GSK3BHDAC1HDAC8HDAC3
SCHEMBL4875484 0.84 MAPT (0.67) HAO1GSK3BHPGDNPC1RAB9A
SCHEMBL11707718 0.81 HAO1 (0.68) HAO1GSK3BHDAC1HDAC8HPGD
SCHEMBL751516 0.80 HPGD (0.74) HAO1GSK3BHDAC1HDAC8HDAC3
SCHEMBL1305020 0.80 GSK3B (0.70) HAO1GSK3BHDAC1HDAC8HDAC3
SCHEMBL11709368 0.79 PLOD2 (0.55) HPGDNPC1RAB9AMAPTCES1
SCHEMBL10645841 0.79 NPC1 (0.63) GSK3BHDAC1HDAC6HPGDNPC1
SCHEMBL11705647 0.79 ERCC5 (0.67) GSK3BNPC1RAB9AMAPTCES1
SCHEMBL28079414 0.79 GSK3B (0.48) HAO1GSK3BHDAC1HDAC8HDAC3
SCHEMBL28037967 0.79 HAO1 (0.89) HAO1GSK3BHDAC1HDAC8HDAC3

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
US-4058558-A 2-METHYLENE-4-OXO-4(4'-ORTHO-CHLOROPHENYLPHENYL)BUTYRIC ACID PIERRE FABRE S.A. (FR) 1977-11-15 US disclosed
US-4008323-A Method of reducing cholesterol using certain aromatic keto acids PIERRE FABRE S.A. (FR) 1977-02-15 US disclosed