SCHEMBL4822987

SCHEMBL4822987

CCO[C@@H](Cc1ccc(NCCCN2CC(C)Oc3ccccc32)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.49
PPARA Q07869 16/20 0.49
PPARD Q03181 5/20 0.42
PTPRF P10586 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL1862230 1.00 PPARG (0.49) PPARGPPARAPPARDPTPRFPTPN2
SCHEMBL4817522 0.99 PPARG (0.49) PPARGPPARAPPARDPTPRFPTPN2
SCHEMBL1860645 0.96 PPARG (0.46) PPARGPPARAPPARDPTPRFPTPN2
SCHEMBL4817528 0.93 PPARG (0.42) PPARGPPARAPPARD
SCHEMBL1865976 0.92 PPARG (0.41) PPARGPPARA
SCHEMBL1870590 0.91 PPARG (0.39) PPARGPPARAPPARDPTPRFPTPN2
SCHEMBL4825231 0.91 PPARG (0.39) PPARGPPARAPPARDPTPRFPTPN2
SCHEMBL4825018 0.90 PPARG (0.39) PPARGPPARAPPARDPTPRFPTPN2
SCHEMBL1857385 0.90 PPARA (0.40) PPARGPPARAPPARDPTPRFPTPN2
SCHEMBL4819031 0.90 PPARA (0.40) PPARGPPARAPPARDPTPRFPTPN2

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-7365064-B2 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-29 US disclosed
EP-1436268-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2004-07-14 EP disclosed
WO-2003033481-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2003-04-24 WO disclosed