Benzene

Benzene

SCHEMBL28095115

CC(N)C(=O)NC(CCCCN)C(=O)O.c1ccccc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.54
NOD1 Q9Y239 1/20 0.52
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
LNPEP Q9UIQ6 1/20 0.46
CPB2 Q96IY4 6/20 0.46
SLC6A5 Q9Y345 1/20 0.46
GSR P00390 1/20 0.46
SLC15A2 Q16348 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
CPB1 P15086 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL29563714 0.97 FOLH1 (0.57) FOLH1NOD1ERAP2ERAP1LNPEP
SCHEMBL1711242 0.97 FOLH1 (0.57) FOLH1NOD1ERAP2ERAP1LNPEP
SCHEMBL1711244 0.97 FOLH1 (0.57) FOLH1NOD1ERAP2ERAP1LNPEP
SCHEMBL29368554 0.97 FOLH1 (0.57) FOLH1NOD1ERAP2ERAP1LNPEP
SCHEMBL29511099 0.97 FOLH1 (0.57) FOLH1NOD1ERAP2ERAP1LNPEP
SCHEMBL29405941 0.95 FOLH1 (0.55) FOLH1NOD1ERAP2ERAP1LNPEP
SCHEMBL11644217 0.94 FOLH1 (0.54) FOLH1NOD1ERAP2ERAP1LNPEP
SCHEMBL11644225 0.94 FOLH1 (0.54) FOLH1NOD1ERAP2ERAP1LNPEP
SCHEMBL29674589 0.92 NOD1 (0.56) FOLH1NOD1ERAP2ERAP1LNPEP
SCHEMBL29406243 0.92 NOD1 (0.56) FOLH1NOD1ERAP2ERAP1LNPEP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107936089-A A kind of method of synthetic styrene-acrylic aminoacyl lysine dipeptides 重庆大学 2018-04-20 CN claimed
CN-105899235-B Method for purifying the antibody-drug conjugates of CYS connection 斯索恩生物制药有限公司 2019-08-30 CN disclosed
CN-106749665-A The novel conjugates of the analogs of CC 1065 and bifunctional linker 辛塔佳有限公司 2017-05-31 CN disclosed
CN-103118679-B Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA B.V. (NL) 2016-12-14 CN disclosed
CN-105899235-A Method for purifying CYS-linked antibody-drug conjugates 斯索恩生物制药有限公司 2016-08-24 CN disclosed