SCHEMBL7460122

SCHEMBL7460122

COC(=O)[C@H](CC(C)C)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
CAPN1 P07384 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 2/20 0.40
EPHX1 P07099 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL8017285 0.88 CAPN1 (0.46) CTSLCTSBCTSSCTSKMEN1
SCHEMBL14559394 0.87 CTSL (0.48) CTSLCTSBCTSSCTSKMEN1
SCHEMBL8977043 0.86 MEN1 (0.54) CTSLCTSBCTSSCTSKMEN1
SCHEMBL13613735 0.85 CAPN1 (0.44) CTSLCTSBCTSSCTSKMEN1
SCHEMBL5357109 0.84 TDP1 (0.50) CTSSCTSKMEN1KMT2AGAA
SCHEMBL12189910 0.84 MEN1 (0.51) CTSSCTSKMEN1KMT2AGAA
SCHEMBL8248462 0.84 MEN1 (0.46) CTSLCTSBCTSSCTSKMEN1
SCHEMBL5870246 0.84 MEN1 (0.46) CTSLCTSBCTSSCTSKMEN1
SCHEMBL5870253 0.84 MEN1 (0.46) CTSLCTSBCTSSCTSKMEN1
SCHEMBL5870258 0.84 MEN1 (0.46) CTSLCTSBCTSSCTSKMEN1

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-0973945-A4 CHIRAL PEPTIDE NUCLEIC ACIDS AND METHODS FOR PREPARING SAME ISIS PHARMACEUTICALS INC (US) 2002-07-17 EP disclosed
EP-0973945-A1 CHIRAL PEPTIDE NUCLEIC ACIDS AND METHODS FOR PREPARING SAME ISIS PHARMACEUTICALS, INC. (US) 2000-01-26 EP disclosed
US-6015887-A PREPARING SYNTHETIC MONOMERS BY DEHYDRATIVE COUPLING OF AMINE AND ALCOHOL STARTING REAGENTS ISIS PHARMACEUTICALS, INC. (US) 2000-01-18 US disclosed
WO-1998046794-A1 CHIRAL PEPTIDE NUCLEIC ACIDS AND METHODS FOR PREPARING SAME ISIS PHARMACEUTICALS, INC. (US) 1998-10-22 WO disclosed