SCHEMBL7045269

SCHEMBL7045269

CC(C)(C)OC(=O)[C@@H](CC(=O)OCc1ccccc1)CC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.45
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 0.44
REN P00797 3/20 0.43
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
ATM Q13315 1/20 0.42
CACNA1B Q00975 4/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SYK P43405 1/20 0.40

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
SCHEMBL7045267 1.00 SLC15A1 (0.45) SLC15A1KLK7KLK5RENCTSL
SCHEMBL13333366 0.91 CACNA1B (0.43) KLK7KLK5RENCTSLCTSB
SCHEMBL7045270 0.91 CACNA1B (0.43) KLK7KLK5RENCTSLCTSB
SCHEMBL5488364 0.80 MMP1 (0.49) CTSLCTSBCTSSCTSK
SCHEMBL5488362 0.80 MMP1 (0.49) CTSLCTSBCTSSCTSK
SCHEMBL3323186 0.79 MMP2 (0.54) CTSLCTSBCTSSCTSKATM
SCHEMBL3323188 0.79 MMP2 (0.54) CTSLCTSBCTSSCTSKATM
SCHEMBL7037201 0.78 REN (0.44) RENCTSLCTSBCTSSCTSK
SCHEMBL7037199 0.78 REN (0.44) RENCTSLCTSBCTSSCTSK
SCHEMBL1628776 0.78 MMP2 (0.53) CTSLCTSBCTSSCTSKATM

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-1467968-A1 N-(4-SUBSTITUTED PHENYL)-ANTHRANILIC ACID HYDROXAMATE ESTERS Warner-Lambert Company LLC (US) 2004-10-20 EP disclosed
WO-2003062191-A1 N-(4-SUBSTITUTED PHENYL)-ANTHRANILIC ACID HYDROXAMATE ESTERS WARNER-LAMBERT COMPANY LLC (US) 2003-07-31 WO disclosed
EP-0998454-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-03-26 EP disclosed
US-6358987-B1 FOR THERAPY AND PROPHYLAXIS OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL EPIDERMAL OR GASTRIC ULCERATION, AND TUMOUR METASTASIS, INVASION AND GROWTH BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-03-19 US disclosed
US-6271262-B1 AMIDESULFONAMIDE COMPOUNDS AS ENZYME INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-08-07 US disclosed