SCHEMBL7676458

SCHEMBL7676458

CCOC(=O)COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)cc1C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.52
TACR1 P25103 1/20 0.46
MBTPS1 Q14703 1/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
PPARA Q07869 1/20 0.43
KLK5 Q9Y337 2/20 0.43
KLK7 P49862 1/20 0.43
ACE P12821 1/20 0.43
CTSS P25774 3/20 0.42
CTSB P07858 2/20 0.42
CTSK P43235 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CTSL P07711 1/20 0.42

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
SCHEMBL6573594 0.91 PTPN1 (0.49) PTPN1TACR1MBTPS1MAPTPOLB
SCHEMBL4650261 0.90 PTPN1 (0.51) PTPN1TACR1MBTPS1MAPTPOLB
SCHEMBL7240680 0.89 PTPN1 (0.47) PTPN1TACR1MBTPS1MAPTPOLB
SCHEMBL7240686 0.89 PTPN1 (0.47) PTPN1TACR1MBTPS1MAPTPOLB
SCHEMBL7239314 0.88 TACR1 (0.48) PTPN1TACR1MBTPS1MAPTPOLB
SCHEMBL7239303 0.88 TACR1 (0.48) PTPN1TACR1MBTPS1MAPTPOLB
SCHEMBL7241770 0.86 TACR1 (0.46) PTPN1TACR1MBTPS1MAPTPOLB
SCHEMBL7672421 0.86 PTPN1 (0.58) PTPN1MBTPS1KLK5CTSSCTSB
SCHEMBL7249306 0.86 TACR1 (0.46) PTPN1TACR1MBTPS1MAPTPOLB
SCHEMBL7678618 0.86 TACR1 (0.50) PTPN1TACR1MAPTPOLBMAPK1

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
US-6410585-B1 THERAPY FOR NON-INSULIN DEPEND DIABETES BIOVITRUM AB (SE) 2002-06-25 US disclosed
EP-1161421-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE Pharmacia & Upjohn Aktiebolag (SE) 2001-12-12 EP disclosed
WO-2000053583-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2000-09-14 WO disclosed