SCHEMBL7037201

SCHEMBL7037201

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
SYK P43405 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
POLB P06746 1/20 0.39
FKBP1A P62942 1/20 0.39
CACNA1B Q00975 3/20 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
SCHEMBL7037199 1.00 REN (0.44) RENCYP3A4CYP2C9CYP2C19CTSL
SCHEMBL7294934 0.88 CYP3A4 (0.43) RENCYP3A4CYP2C9CYP2C19CTSL
SCHEMBL15619033 0.86 CYP3A4 (0.44) RENCYP3A4CYP2C9CYP2C19CTSL
SCHEMBL15619034 0.86 CYP3A4 (0.44) RENCYP3A4CYP2C9CYP2C19CTSL
SCHEMBL9770958 0.80 REN (0.43) RENCYP3A4CYP2C9CYP2C19CTSL
SCHEMBL6622988 0.80 POLB (0.46) CTSLCTSBCTSSCTSKSYK
SCHEMBL7331165 0.80 POLB (0.46) CTSLCTSBCTSSCTSKSYK
SCHEMBL27353143 0.78 REN (0.44) RENCTSLCTSBCTSSCTSK
SCHEMBL13333366 0.78 CACNA1B (0.43) RENCYP3A4CYP2C9CYP2C19CTSL
SCHEMBL7045270 0.78 CACNA1B (0.43) RENCYP3A4CYP2C9CYP2C19CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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