SCHEMBL20138620

SCHEMBL20138620

CC(=O)ONC(=O)C(N)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.45
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
DPP7 Q9UHL4 2/20 0.45
FAP Q12884 1/20 0.45
SLC7A5 Q01650 1/20 0.42
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LAP3 P28838 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
SCHEMBL2729288 0.78 ALDH1A1 (0.38) TSHRALDH1A1MEN1KMT2A
SCHEMBL4603090 0.76 DPP4 (0.48) DPP4DPP8DPP9DPP7FAP
SCHEMBL4603093 0.76 DPP4 (0.48) DPP4DPP8DPP9DPP7FAP
SCHEMBL28969885 0.74 ALDH1A1 (0.43) DPP4DPP8DPP9DPP7FAP
SCHEMBL29616779 0.71 DPP4 (0.48) DPP4DPP8DPP9DPP7FAP
SCHEMBL4600795 0.71 DPP4 (0.44) DPP4DPP8DPP9DPP7FAP
SCHEMBL4600799 0.71 DPP4 (0.44) DPP4DPP8DPP9DPP7FAP
SCHEMBL10651547 0.71 ALDH1A1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL892804 0.70
SCHEMBL2512216 0.70

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 4 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
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