SCHEMBL6719150

SCHEMBL6719150

CC(C)(C)OC(=O)NC(CCn1c(=O)c(F)cn(COCc2ccccc2)c1=O)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.46
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.42
KLK7 P49862 5/20 0.42
KLK5 Q9Y337 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AKT1 P31749 1/20 0.40
SYK P43405 1/20 0.39
SCN9A Q15858 1/20 0.39
CTSK P43235 3/20 0.39
CTSL P07711 2/20 0.38
CTSB P07858 1/20 0.38
MAPT P10636 1/20 0.38
CCKAR P32238 2/20 0.38
CCKBR P32239 2/20 0.38

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
SCHEMBL6723598 0.90 CTSS (0.46) CTSSPPARAPPARGKLK7KLK5
SCHEMBL6719123 0.86 PPARA (0.47) CTSSPPARAPPARGKLK7KLK5
SCHEMBL6724130 0.82 CTSS (0.47) CTSSPPARAPPARGKLK7KLK5
SCHEMBL6724196 0.78 PPARA (0.43) CTSSPPARAPPARGKLK7KLK5
SCHEMBL6722561 0.77 CTSS (0.45) CTSSPPARAPPARGKLK7KLK5
SCHEMBL22433663 0.76 PPARA (0.57) CTSSPPARAPPARGKLK7KLK5
SCHEMBL22433357 0.76 PPARA (0.57) CTSSPPARAPPARGKLK7KLK5
SCHEMBL22433665 0.76 PPARA (0.57) CTSSPPARAPPARGKLK7KLK5
SCHEMBL6723646 0.76 CTSS (0.42) CTSSPPARAPPARGKLK7KLK5
SCHEMBL6719065 0.75 PPARA (0.49) CTSSPPARAPPARGKLK7KLK5

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