SCHEMBL6986435

SCHEMBL6986435

CCOS(=O)(=O)c1ccc(C)c(-c2nc(-c3ccc(Br)cc3)oc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 5/20 0.46
MAPT P10636 5/20 0.39
TP53 P04637 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PTPN1 P18031 3/20 0.35
PTPN2 P17706 1/20 0.35
PTPN5 P54829 1/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 3/20 0.34
POLB P06746 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PDCD4 Q53EL6 1/20 0.33

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
SCHEMBL6703700 0.89 TARBP2 (0.46) TARBP2MAPTKDM4EALDH1A1KMT2A
SCHEMBL5218987 0.89 TARBP2 (0.42) TARBP2TP53KDM4EALDH1A1KMT2A
SCHEMBL6988862 0.89 PPARG (0.38) TARBP2MAPTTP53KDM4EKMT2A
SCHEMBL27607598 0.84 MAPT (0.36) MAPTTP53KDM4EALDH1A1KMT2A
SCHEMBL6705288 0.83 TARBP2 (0.39) TARBP2TP53KDM4EALDH1A1KMT2A
SCHEMBL6994309 0.79 MAPT (0.41) MAPTTP53KDM4EALDH1A1KMT2A
SCHEMBL6990599 0.79 FLT1 (0.38) MAPTTP53KDM4EALDH1A1KMT2A
SCHEMBL6993450 0.78 FFAR2 (0.38) RAB9ANPC1
SCHEMBL27597552 0.76 UTRN (0.37) MAPTTP53KDM4EALDH1A1KMT2A
SCHEMBL6989034 0.74 PIK3CB (0.33)

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
CN-1578659-A Modulators of peroxisome proliferator activated receptors (ppar) LILLY CO ELI (US) 2005-02-09 CN disclosed
EP-1313715-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002018355-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-03-07 WO disclosed