SCHEMBL6724196

SCHEMBL6724196

C=CCOC(=O)C(CCn1c(=O)ccn(COCc2ccccc2)c1=O)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.43
CTSS P25774 4/20 0.41
PPARG P37231 1/20 0.40
KLK7 P49862 5/20 0.40
KLK5 Q9Y337 4/20 0.40
AKT1 P31749 1/20 0.38
CTSK P43235 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CASP1 P29466 2/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 1/20 0.36
FAAH O00519 1/20 0.36
SCN9A Q15858 2/20 0.36

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
SCHEMBL6719123 0.92 PPARA (0.47) PPARACTSSPPARGKLK7KLK5
SCHEMBL6723646 0.83 CTSS (0.42) PPARACTSSPPARGKLK7KLK5
SCHEMBL6723598 0.79 CTSS (0.46) PPARACTSSPPARGKLK7KLK5
SCHEMBL6719150 0.78 CTSS (0.46) PPARACTSSPPARGKLK7KLK5
SCHEMBL8697793 0.78 PPARA (0.65) PPARACTSSPPARGKLK7KLK5
SCHEMBL8699428 0.76 CTSK (0.60) PPARACTSSPPARGCTSKSMN1; SMN2
SCHEMBL31360771 0.75 SMN1; SMN2 (0.49) PPARACTSSPPARGKLK7KLK5
SCHEMBL6724130 0.75 CTSS (0.47) PPARACTSSPPARGKLK7KLK5
SCHEMBL6724186 0.73 NPSR1 (0.48) CTSSAKT1CTSKSMN1; SMN2CTSL
SCHEMBL7409262 0.73 KLK7 (0.58) PPARACTSSPPARGKLK7KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673804-B1 PREVENTING OR TREATING ARTHRITIS (PARTICULARLY OSTEOARTHRITIS) OR INHIBITING METASTASIS, INVASION OR GROWTH OF CANCER (PARTICULARLY BREAST CANCER) SANKYO COMPANY, LIMITED (JP) 2004-01-06 US disclosed
EP-1069110-A1 SULFONAMIDE DERIVATIVES Sankyo Company Limited (JP) 2001-01-17 EP disclosed