SCHEMBL29390915

SCHEMBL29390915

CC(C)(C)OC(=O)CCCNC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.51
▸ CAPN1 P07384 1/20 0.50
▸ CAPN2 P17655 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CTSL P07711 3/20 0.49
▸ CTSS P25774 3/20 0.49
▸ HTT P42858 1/20 0.49
▸ CTSB P07858 2/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA5A P35218 1/20 0.47
▸ CA1 P00915 1/20 0.46
▸ SIRT1 Q96EB6 2/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CTSK P43235 3/20 0.44
▸ FOLH1 Q04609 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL29467603 1.00 SYK (0.51) SYKCAPN1CAPN2MAPTCTSL
SCHEMBL31720396 1.00 SYK (0.51) SYKCAPN1CAPN2MAPTCTSL
SCHEMBL23451373 0.97 SYK (0.54) SYKCAPN1CAPN2MAPTCTSL
SCHEMBL23451372 0.97 SYK (0.54) SYKCAPN1CAPN2MAPTCTSL
SCHEMBL29467638 0.88 SMN1; SMN2 (0.47) SYKCAPN1CAPN2MAPTCTSL
SCHEMBL29548496 0.88 SMN1; SMN2 (0.47) SYKCAPN1CAPN2MAPTCTSL
SCHEMBL30407162 0.88 SMN1; SMN2 (0.47) SYKCAPN1CAPN2MAPTCTSL
SCHEMBL20529378 0.87 CAPN1 (0.54) SYKCAPN1CAPN2MAPTCTSL
SCHEMBL29467718 0.85 CAPN1 (0.47) SYKCAPN1CAPN2MAPTCTSL
SCHEMBL16975020 0.84 HTT (0.68) SYKMAPTHTTFOLH1LMNA

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 2 patents. 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
CN-114040779-A Conjugates of cell binding molecules containing branched linkers and cytotoxic agents 杭州多禧生物科技有限公司 2022-02-11 — — CN disclosed
Send feedback