SCHEMBL19749811

SCHEMBL19749811

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)C)C(O)NN

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 16/20 0.53
▸ CTSS P25774 2/20 0.48
▸ CTSL P07711 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ PAX8 Q06710 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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 0.88 PAX8 (0.53) RENCTSSCTSLCTSBCTSK
SCHEMBL16576487 0.81 REN (0.50) RENCTSSCTSLCTSBCTSK
SCHEMBL19559783 0.80 ATM (0.47) RENCTSSCTSLCTSBCTSK
SCHEMBL16908988 0.79 ACE (0.59) CTSSCTSLCTSBCTSKPAX8
SCHEMBL13702233 0.79 ACE (0.59) CTSSCTSLCTSBCTSKPAX8
SCHEMBL30688483 0.78 ATM (0.64) RENCTSSCTSLCTSBCTSK
SCHEMBL20669327 0.78 REN (0.61) RENCTSSCTSLCTSBCTSK
SCHEMBL20516080 0.78 REN (0.61) RENCTSSCTSLCTSBCTSK
SCHEMBL21981399 0.78 REN (0.61) RENCTSSCTSLCTSBCTSK
SCHEMBL21981397 0.78 REN (0.61) RENCTSSCTSLCTSBCTSK

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
US-9850275-B2 Photolabile linker for the solid-phase synthesis of hydrazides and pyranopyrazoles DANMARKS TEKNISKE UNIVERSITET (DK) 2017-12-26 — — US disclosed
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