SCHEMBL6602528

SCHEMBL6602528

CCOC(=O)C(Br)Cc1ccc(OCC2(C)Oc3ccccc3C(=O)N2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
PPARG P37231 6/20 0.36
PPARA Q07869 5/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
GLA P06280 1/20 0.35
BCL2L2 Q92843 1/20 0.35
BAD Q92934 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPN1 P18031 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL6602846 0.77 NPSR1 (0.36) HPGDKDM4EGAAMAPTMEN1
SCHEMBL6601579 0.75 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2A
SCHEMBL6601460 0.74 MEN1 (0.54) ALDH1A1HPGDPPARGPPARAMAPT
SCHEMBL8777334 0.71 ACACB (0.48) PPARAGAA
SCHEMBL9534822 0.69 ALDH1A1 (0.41) ALDH1A1HPGDF2F10ITGB3
SCHEMBL5935688 0.67 GFER (0.49) ALDH1A1HPGDPPARGPPARAGAA
SCHEMBL2340596 0.67 MMP8 (0.58) ALDH1A1PPARGKDM4EMAPTHSD17B10
SCHEMBL7248568 0.66 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL5935666 0.64 MAPT (0.48) ALDH1A1HPGDPPARGPPARAKDM4E
SCHEMBL7248494 0.64 PPARG (0.52) PPARGPPARAPPARD

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-1036075-B1 SUBSTITUTED THIAZOLIDINEDIONE AND OXAZOLIDINEDIONE HAVING ANTIDIABETIC, HYPOLIPIDEMIA AND ANTIHYPERTENSIVE PROPERTIES REDDYS LAB LTD DR (IN) 2004-06-23 EP disclosed
US-6313113-B1 AZOLIDINEDIONE DERIVATIVES, ANALOGUES, TAUTOMERIC FORMS, STEREOISOMERS, POLYMORPHS, SALTS AND SOLVATES; TREATING NON-INSULIN-DEPENDENT DIABETES MELLITUS REDDY-CHEMINOR, INC. 2001-11-06 US disclosed
EP-1036075-A1 SUBSTITUTED THIAZOLIDINEDIONE AND OXAZOLIDINEDIONE HAVING ANTIDIABETIC, HYPOLIPIDEMIA AND ANTIHYPERTENSIVE PROPERTIES DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-09-20 EP disclosed
US-6030973-A TYPE II DIABETES (NON-INSULIN-DEPENDENT-DIABETES MELLITUS) POTENTIATION; EFFICIENCY; SIDE EFFECT REDUCTION DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-02-29 US disclosed
WO-1998045291-A1 SUBSTITUTED THIAZOLIDINEDIONE AND OXAZOLIDINEDIONE HAVING ANTIDIABETIC, HYPOLIPIDEMIA AND ANTIHYPERTENSIVE PROPERTIES DR. REDDY'S RESEARCH FOUNDATION (IN) 1998-10-15 WO disclosed