SCHEMBL7262115

SCHEMBL7262115

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.58
CTSS P25774 4/20 0.53
CTSL P07711 4/20 0.53
CTSB P07858 3/20 0.53
NAALAD2 Q9Y3Q0 1/20 0.52
FOLH1 Q04609 1/20 0.52
CAPN1 P07384 1/20 0.52
CAPN2 P17655 1/20 0.52
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
MME P08473 1/20 0.51
ECE1 P42892 1/20 0.51
KYNU Q16719 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
SCHEMBL14422996 0.88 CTSK (0.62) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL6850961 0.88 NAALAD2 (0.69) CTSKCTSSCTSLCTSBNAALAD2
SCHEMBL3614032 0.88 CTSK (0.59) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL3614028 0.88 CTSK (0.59) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL319160 0.87 CTSK (0.64) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL2895983 0.87 CTSK (0.64) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL265512 0.87 CTSK (0.64) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL27649725 0.87 CTSK (0.54) CTSKCTSSCTSLCTSBNAALAD2
SCHEMBL27649726 0.87 CTSK (0.54) CTSKCTSSCTSLCTSBNAALAD2
SCHEMBL27954869 0.86 CTSK (0.56) CTSKCTSSCTSLCTSBCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728018-B1 New enzymes and prodrugs for ADEPT WELLCOME FOUND (GB) 2003-08-06 EP disclosed
US-6319702-B1 NUCLEOTIDE SEQUENCS CODING AN ENZYMATIC POLYPEPTIDE AND CELL TARGETING COMPOUND; FOR USE IN TREATMENT OF CANCER GLAXO WELLCOME, INC. 2001-11-20 US disclosed
US-6140100-A CONJUGATE POLYPEPTIDE WHICH IS TISSUE PREFERENTIAL; ANTICARCINOGENIC AGENTS GLAXO WELLCOME INC. (US) 2000-10-31 US disclosed
EP-0728018-A1 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013095-A2 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-18 WO disclosed