SCHEMBL9716657

SCHEMBL9716657

NCCC[C@@H](NC(=O)C1CCCCC1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSB P07858 5/20 0.50
CHRNB2 P17787 4/20 0.50
CHRNB4 P30926 4/20 0.50
CHRNA3 P32297 4/20 0.50
CHRNA4 P43681 4/20 0.50
CTSH P09668 4/20 0.50
CTSK P43235 4/20 0.50
CTSL P07711 3/20 0.50
CTSS P25774 3/20 0.50
CTSF Q9UBX1 2/20 0.50
CPB2 Q96IY4 2/20 0.50
CTSV O60911 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRM1 Q13255 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
SCHEMBL9716645 1.00 CTSB (0.50) CTSBCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9716652 1.00 CTSB (0.50) CTSBCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7890166 0.95 CPB2 (0.55) CTSBCTSHCTSKCTSLCTSS
SCHEMBL9716618 0.95 CPB2 (0.55) CTSBCTSHCTSKCTSLCTSS
SCHEMBL9716584 0.92 FOLH1 (0.49) CTSBCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9716721 0.92 FOLH1 (0.49) CTSBCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9716589 0.92 FOLH1 (0.49) CTSBCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9716612 0.87 FOLH1 (0.55) CTSBCTSHCTSKCTSLCTSS
SCHEMBL8510233 0.87 FOLH1 (0.55) CTSBCTSHCTSKCTSLCTSS
SCHEMBL9829901 0.84 NAAA (0.50) CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed