SCHEMBL6573594

SCHEMBL6573594

CCOC(=O)COc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)cc1OCC(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.49
TACR1 P25103 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MBTPS1 Q14703 1/20 0.47
PPARA Q07869 1/20 0.46
ACE P12821 1/20 0.46
CTSS P25774 4/20 0.45
CTSB P07858 3/20 0.45
CTSK P43235 3/20 0.45
KLK5 Q9Y337 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTSL P07711 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 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
SCHEMBL7240680 0.92 PTPN1 (0.47) PTPN1TACR1MEN1KMT2AMBTPS1
SCHEMBL7240686 0.92 PTPN1 (0.47) PTPN1TACR1MEN1KMT2AMBTPS1
SCHEMBL7239303 0.91 TACR1 (0.48) PTPN1TACR1MBTPS1PPARAACE
SCHEMBL7239314 0.91 TACR1 (0.48) PTPN1TACR1MBTPS1PPARAACE
SCHEMBL7676458 0.91 PTPN1 (0.52) PTPN1TACR1MBTPS1PPARAACE
SCHEMBL12643654 0.89 PPARA (0.50) PTPN1TACR1MEN1KMT2APPARA
SCHEMBL14577322 0.89 PPARA (0.50) PTPN1TACR1MEN1KMT2APPARA
SCHEMBL9589336 0.89 PPARA (0.52) PTPN1TACR1MEN1KMT2AMBTPS1
SCHEMBL9589331 0.89 PPARA (0.52) PTPN1TACR1MEN1KMT2AMBTPS1
SCHEMBL7241770 0.89 TACR1 (0.46) PTPN1TACR1MBTPS1PPARAACE

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-1019364-B1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2004-06-09 EP disclosed
US-6410585-B1 THERAPY FOR NON-INSULIN DEPEND DIABETES BIOVITRUM AB (SE) 2002-06-25 US disclosed
US-6353023-B1 AROMATIC COMPOUNDS WITH AMIDE GROUPS PHARMACIA & UPJOHN COMPANY 2002-03-05 US disclosed
EP-1019364-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 2000-07-19 EP disclosed
WO-1999011606-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 1999-03-11 WO disclosed