SCHEMBL10612913

SCHEMBL10612913

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

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.63
CYP1A2 P05177 1/20 0.60
ELANE P08246 1/20 0.58
CTSS P25774 4/20 0.57
CTSL P07711 3/20 0.57
CTSB P07858 2/20 0.57
ATM Q13315 1/20 0.57
TPSAB1 Q15661 2/20 0.56
PLG P00747 1/20 0.56
PRSS1 P07477 1/20 0.56
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP3A4 P08684 2/20 0.54
TSHR P16473 2/20 0.54
CTRB1 P17538 2/20 0.54

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
SCHEMBL11515552 1.00 CTSK (0.63) CTSKCYP1A2ELANECTSSCTSL
SCHEMBL22753446 1.00 CTSK (0.63) CTSKCYP1A2ELANECTSSCTSL
SCHEMBL11514747 0.98 CTSK (0.62) CTSKCYP1A2ELANECTSSCTSL
SCHEMBL3358693 0.90 CTSK (0.62) CTSKCYP1A2CTSSCTSLCTSB
SCHEMBL22475275 0.90 CTSK (0.62) CTSKCYP1A2CTSSCTSLCTSB
SCHEMBL7421757 0.90 CTSK (0.62) CTSKCYP1A2CTSSCTSLCTSB
SCHEMBL10954146 0.90 CTSK (0.62) CTSKCYP1A2CTSSCTSLCTSB
SCHEMBL8177898 0.90 CTSK (0.62) CTSKCYP1A2CTSSCTSLCTSB
SCHEMBL7761881 0.90 CTSK (0.62) CTSKCYP1A2CTSSCTSLCTSB
SCHEMBL29453235 0.90 CTSK (0.62) CTSKCYP1A2CTSSCTSLCTSB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0195047-A4 AMINOMALONYL ALANINE COMPOUNDS AND USE AS DIETARY SWEETENERS. RES TRIANGLE INST (US) 1988-05-31 EP disclosed
US-4714619-A STABLE IN AQUEOUS SOLUTION RESEARCH TRIANGLE INSTITUTE (US) 1987-12-22 US disclosed
EP-0195047-A1 AMINOMALONYL ALANINE COMPOUNDS AND USE AS DIETARY SWEETENERS RESEARCH TRIANGLE INSTITUTE (US) 1986-09-24 EP disclosed
WO-1986001690-A1 AMINOMALONYL ALANINE COMPOUNDS AND USE AS DIETARY SWEETENERS RESEARCH TRIANGLE INSTITUTE (US) 1986-03-27 WO disclosed