SCHEMBL29548828

SCHEMBL29548828

COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(C)C(=O)NC(C)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.53
CTSB P07858 1/20 0.44
SYK P43405 1/20 0.44
CAPN1 P07384 1/20 0.43
CAPN2 P17655 1/20 0.43
CTSK P43235 4/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIRT2 Q8IXJ6 3/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
ESR1 P03372 1/20 0.42
SIRT1 Q96EB6 1/20 0.41
REN P00797 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
SCHEMBL29467688 0.90 LMNA (0.49) CTSBSYKCAPN1CAPN2CTSK
SCHEMBL30408074 0.88 SIRT2 (0.49) PSMB5SIRT2SIRT1
SCHEMBL30407209 0.88 SIRT2 (0.49) PSMB5SIRT2SIRT1
SCHEMBL30407457 0.86 SIRT2 (0.50) SIRT2SIRT1
SCHEMBL29467624 0.85 CAPN1 (0.51) CTSBCAPN1CAPN2SIRT2BCHE
SCHEMBL30638287 0.84 LMNA (0.52) PSMB5CTSBSYKCAPN1CAPN2
SCHEMBL19509744 0.84 LMNA (0.52) PSMB5CTSBSYKCAPN1CAPN2
SCHEMBL25132765 0.84 SYK (0.49) PSMB5CTSBSYKCAPN1CAPN2
SCHEMBL29467642 0.83 LMNA (0.54) CAPN1CAPN2LMNASMN1; SMN2SIRT2
SCHEMBL29336444 0.83 LMNA (0.54) CTSBCAPN1CAPN2CTSKLMNA

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
EP-3986463-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS Hangzhou Dac Biotech Co., Ltd. (CN) 2022-04-27 EP disclosed