SCHEMBL7678618

SCHEMBL7678618

CCOC(=O)c1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.50
PPARA Q07869 2/20 0.48
ACE P12821 1/20 0.47
CTSS P25774 5/20 0.46
CTSK P43235 4/20 0.46
CTSB P07858 3/20 0.46
KLK5 Q9Y337 1/20 0.46
CTSL P07711 1/20 0.46
TYR P14679 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
SYK P43405 1/20 0.45
SCN9A Q15858 1/20 0.45
PTPN1 P18031 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL4650290 0.92 KLK5 (0.50) TACR1PPARAACECTSSCTSK
SCHEMBL7673164 0.88 CTSS (0.51) TACR1ACECTSSCTSKCTSB
SCHEMBL27406840 0.87 TACR1 (0.54) TACR1PPARAACECTSSCTSK
SCHEMBL6572493 0.87 PPARA (0.54) TACR1PPARAACECTSSCTSK
SCHEMBL9888267 0.87 PPARA (0.54) TACR1PPARAACECTSSCTSK
SCHEMBL7676458 0.86 PTPN1 (0.52) TACR1PPARAACECTSSCTSK
SCHEMBL4650885 0.84 PPARA (0.51) TACR1PPARAACECTSSCTSK
SCHEMBL7047080 0.84 PPARA (0.51) TACR1PPARAACECTSSCTSK
SCHEMBL7164557 0.84 PPARA (0.51) TACR1PPARAACECTSSCTSK
SCHEMBL5375331 0.83 TACR1 (0.53) TACR1PPARAACECTSSCTSK

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