SCHEMBL19559783

SCHEMBL19559783

C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C1CCCC1)C(=O)NN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ REN P00797 8/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PSMB8 P28062 3/20 0.45
▸ PSMB9 P28065 3/20 0.45
▸ PSMB5 P28074 3/20 0.45
▸ PSMB1 P20618 2/20 0.45
▸ PSMB10 P40306 1/20 0.44
▸ PSMB2 P49721 1/20 0.44
▸ CTSS P25774 2/20 0.44
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ CDYL2 Q8N8U2 1/20 0.43
▸ CDYL Q9Y232 1/20 0.43
▸ KLK7 P49862 1/20 0.43
▸ KLK5 Q9Y337 1/20 0.43
▸ PTPN1 P18031 1/20 0.43

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
SCHEMBL16576488 0.91 PAX8 (0.53) ATMKMT2ARENPAX8TDP1
SCHEMBL16576487 0.80 REN (0.50) ATMKMT2ARENPAX8TDP1
SCHEMBL19749811 0.80 REN (0.53) RENPAX8TDP1CTSSCTSL
SCHEMBL10668564 0.78 KMT2A (0.59) ATMKMT2APAX8TDP1PSMB8
SCHEMBL13702233 0.78 ACE (0.59) ATMKMT2APAX8TDP1PSMB8
SCHEMBL16908988 0.78 ACE (0.59) ATMKMT2APAX8TDP1PSMB8
SCHEMBL13956678 0.77 PAX8 (0.52) PAX8TDP1PSMB8PSMB9PSMB5
SCHEMBL19559859 0.77 REN (0.42) ATMKMT2ARENPSMB8PSMB9
SCHEMBL22961954 0.77 CTSS (0.55) RENPAX8TDP1PSMB8PSMB9
SCHEMBL10135741 0.76 CTSK (0.55) KMT2APAX8TDP1PSMB8PSMB9

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-3044204-B1 A PHOTOLABILE LINKER FOR THE SOLID-PHASE SYNTHESIS OF HYDRAZIDES AND PYRANOPYRAZOLES UNIV DANMARKS TEKNISKE (DK) 2017-11-08 — — EP disclosed
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