SCHEMBL25829780

SCHEMBL25829780

CN(CCOCCN(CCOCCN(C)C(=O)OC(C)(C)C)Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
AKT1 P31749 2/20 0.45
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
PDK2 Q15119 1/20 0.43
RIPK1 Q13546 1/20 0.43
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
NPC1 O15118 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 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
SCHEMBL2245966 0.97 AKT1 (0.48) L3MBTL1AKT1HTR2CSLC6A4CTSL
SCHEMBL26840794 0.93 L3MBTL1 (0.47) L3MBTL1AKT1HTR2CSLC6A4CTSL
SCHEMBL23085349 0.90 IDO1 (0.48) L3MBTL1AKT1CTSLCTSBCTSS
SCHEMBL30511025 0.89 AKT1 (0.49) L3MBTL1AKT1HTR2CSLC6A4CTSL
SCHEMBL16993182 0.85 L3MBTL1 (0.62) L3MBTL1HTR2CSLC6A4CTSBCTSS
SCHEMBL25479253 0.84 BCHE (0.48) L3MBTL1AKT1HTR2CSLC6A4CTSL
SCHEMBL25488954 0.84 TSHR (0.46) L3MBTL1AKT1HTR2CSLC6A4CTSL
SCHEMBL22771201 0.82 BCHE (0.49) L3MBTL1AKT1HTR2CSLC6A4CTSL
SCHEMBL27420947 0.82 AKT1 (0.45) L3MBTL1AKT1CTSLCTSBCTSS
SCHEMBL7190668 0.81 RIPK1 (0.57) AKT1HTR2CSLC6A4CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125806-A1 CONJUGATE FOR PREVENTING AND TREATING VIRAL INFECTIONS AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 WO disclosed