SCHEMBL20138646

SCHEMBL20138646

CCC(=O)ON(Cc1ccccc1)OC(=O)CC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RIPK1 Q13546 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL29088338 0.85 LMNA (0.49) LMNAALDH1A1NPC1RAB9ACA12
SCHEMBL11554391 0.84 NPC1 (0.49) LMNAALDH1A1NPC1RAB9ACA12
SCHEMBL10626127 0.81 ALDH1A1 (0.52) LMNAALDH1A1NPC1RAB9ACA12
SCHEMBL4176308 0.73 TSHR (0.47) LMNAALDH1A1NPC1RAB9ACA12
SCHEMBL4176309 0.73 TSHR (0.52) LMNAALDH1A1L3MBTL1POLBSMN1; SMN2
SCHEMBL28827127 0.71 NPC1 (0.43) LMNAALDH1A1NPC1RAB9ACA12
SCHEMBL20503326 0.71 NPC1 (0.47) LMNAALDH1A1NPC1RAB9ACA12
SCHEMBL28045443 0.71 ALDH1A1 (0.53) LMNAALDH1A1RAB9AL3MBTL1KMT2A
SCHEMBL27139938 0.71 TSHR (0.58) LMNAALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL111605 0.71 ALDH1A1 (0.68) LMNAALDH1A1NPC1RAB9AL3MBTL1

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