SCHEMBL7359266

SCHEMBL7359266

CCC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(C(=O)O)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 5/20 0.69
CTSL P07711 3/20 0.69
CTSS P25774 3/20 0.69
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
LMNA P02545 1/20 0.67
ECE1 P42892 3/20 0.62
MME P08473 2/20 0.62
CASP3 P42574 3/20 0.60
CTSK P43235 4/20 0.59
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
RAB9A P51151 1/20 0.58
CASP1 P29466 1/20 0.54
CASP4 P49662 1/20 0.54
CASP5 P51878 1/20 0.54
CASP9 P55211 1/20 0.54
CASP6 P55212 1/20 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
SCHEMBL7359269 1.00 CTSB (0.69) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL7049933 0.95 CTSB (0.72) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL29861103 0.93 CTSB (0.69) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL6272667 0.91 ECE1 (0.64) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL7378851 0.91 ECE1 (0.64) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL24734375 0.90 CTSL (0.71) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL5145628 0.90 CTSL (0.71) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL7264750 0.90 CTSL (0.71) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL8837339 0.90 CTSL (0.71) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL8837344 0.90 CTSL (0.71) CTSBCTSLCTSSMEN1KMT2A

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
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO disclosed
EP-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 EP disclosed
US-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 US disclosed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 WO disclosed