SCHEMBL6723646

SCHEMBL6723646

C=CCOC(=O)C(CCn1c(=O)c2ccccc2n(COCc2ccccc2)c1=O)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.42
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.39
KLK7 P49862 5/20 0.39
KLK5 Q9Y337 4/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
AKT1 P31749 1/20 0.37
P2RX3 P56373 1/20 0.37
CTSK P43235 1/20 0.37
SYK P43405 1/20 0.36
MAPT P10636 4/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 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
SCHEMBL6722561 0.88 CTSS (0.45) CTSSPPARAPPARGKLK7KLK5
SCHEMBL6724180 0.84 NPC1 (0.43) CTSSPPARAKLK7KLK5AKT1
SCHEMBL6724196 0.83 PPARA (0.43) CTSSPPARAPPARGKLK7KLK5
SCHEMBL6724130 0.80 CTSS (0.47) CTSSPPARAPPARGKLK7KLK5
SCHEMBL6723598 0.78 CTSS (0.46) CTSSPPARAPPARGKLK7KLK5
SCHEMBL8697793 0.76 PPARA (0.65) CTSSPPARAPPARGKLK7KLK5
SCHEMBL31360771 0.76 SMN1; SMN2 (0.49) CTSSPPARAPPARGKLK7KLK5
SCHEMBL7409262 0.76 KLK7 (0.58) CTSSPPARAPPARGKLK7KLK5
SCHEMBL6719150 0.76 CTSS (0.46) CTSSPPARAPPARGKLK7KLK5
SCHEMBL6719123 0.75 PPARA (0.47) 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