SCHEMBL6929670

SCHEMBL6929670

CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)O)C(=O)N(CCCCN)C(=N)N

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 15/20 0.50
▸ CTSB P07858 3/20 0.50
▸ CAPN9 O14815 2/20 0.50
▸ CTSK P43235 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ CTSL P07711 2/20 0.50
▸ CTSH P09668 1/20 0.50
▸ CTSS P25774 1/20 0.50
▸ CTSC P53634 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ BLM P54132 1/20 0.50

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
SCHEMBL1230639 0.85 CAPN1 (0.52) CAPN1CTSBCAPN9CTSKMAPK1
SCHEMBL9089222 0.84 CAPN1 (0.51) CAPN1CTSBCAPN9CTSKMAPK1
SCHEMBL11067480 0.78 CAPN1 (0.74) CAPN1CTSBCAPN9CTSKMAPK1
Agmatine SCHEMBL18784085 0.77 CAPN1 (0.59) CAPN1CTSBCAPN9CTSKMAPK1
SCHEMBL11184932 0.77 CAPN1 (0.72) CAPN1CTSBCAPN9CTSKMAPK1
SCHEMBL11188762 0.77 CAPN1 (0.72) CAPN1CTSBCAPN9CTSKMAPK1
SCHEMBL15281236 0.75 CAPN1 (0.64) CAPN1CTSBCAPN9CTSKMAPK1
SCHEMBL6069773 0.75 CAPN1 (0.64) CAPN1CTSBCAPN9CTSKMAPK1
SCHEMBL6069840 0.75 CAPN1 (0.64) CAPN1CTSBCAPN9CTSKMAPK1
SCHEMBL212151 0.74 CAPN1 (0.60) CAPN1CTSBCAPN9CTSKMAPK1

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-6518062-B1 Enhanced toxicity of nucleoside analogues; enzymatic phosphorylation; kinases; vector enabled intracelluar expression and transfer; use anti-cancer gene therapy AVENTIS PHARMA S.A. (FR) 2003-02-11 — — US disclosed
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