SCHEMBL20138652

SCHEMBL20138652

CCCC(=O)ONC(=O)C(C)N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
SLC15A1 P46059 1/20 0.42
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CTSD P07339 1/20 0.35
DPP4 P27487 1/20 0.35
LMNA P02545 3/20 0.33
XIAP P98170 1/20 0.33
ALOX15 P16050 1/20 0.33
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
DGKA P23743 1/20 0.31
FFAR3 O14843 1/20 0.31
TSHR P16473 1/20 0.31
PAX8 Q06710 1/20 0.31

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
SCHEMBL21611684 0.83 SLC15A1 (0.40) ALDH1A1SLC15A1DPP8DPP7DPP4
SCHEMBL28064877 0.83 SLC15A1 (0.40) ALDH1A1SLC15A1DPP8DPP7DPP4
SCHEMBL1741203 0.79 KDM4E (0.36) SLC15A1DPP4LMNATSHR
SCHEMBL29214306 0.77 CA1 (0.46) LMNADGKA
SCHEMBL28310176 0.74 DPP4 (0.34) SLC15A1DPP8DPP7DPP4LMNA
SCHEMBL9839492 0.74 ALDH1A1 (0.50) ALDH1A1CTSDLMNAHDAC3HDAC1
SCHEMBL13479776 0.74 CTSD (0.52) ALDH1A1CTSDHDAC3HDAC1HDAC2
SCHEMBL3804877 0.74 ALDH1A1 (0.50) ALDH1A1CTSDLMNAALOX15HDAC3
SCHEMBL1291689 0.72 ALDH1A1 (0.48) ALDH1A1CTSDLMNAALOX15HDAC3
SCHEMBL1070686 0.72 ALDH1A1 (0.48) ALDH1A1CTSDLMNAALOX15HDAC3

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
EP-3818062-A1 CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES Hangzhou Dac Biotech Co., Ltd (CN) 2021-05-12 EP disclosed
CN-112272669-A Cross-linked pyrrolobenzodiazepine dimer (PBD) derivatives and conjugates thereof 杭州多禧生物科技有限公司 2021-01-26 CN disclosed
WO-2020006722-A1 CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES HANGZHOU DAC BIOTECH CO., LTD (CN) 2020-01-09 WO disclosed
EP-3538080-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS Hangzhou Dac Biotech Co. Ltd. (CN) 2019-09-18 EP disclosed
WO-2018086139-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2018-05-17 WO disclosed