SCHEMBL7005362

SCHEMBL7005362

CCOC(=O)c1[nH]c2cc(OC(=O)c3ccccc3)ccc2c1Cc1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
TP53 P04637 1/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PTPN5 P54829 1/20 0.46
MEN1 O00255 3/20 0.46
ALOX5 P09917 1/20 0.46
ALOX15 P16050 3/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NQO2 P16083 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 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
SCHEMBL6859385 0.84 HTR6 (0.61) MAPTTP53KMT2AALDH1A1KDM4E
SCHEMBL3659426 0.79 KDM4E (0.60) MAPTTP53KMT2AALDH1A1KDM4E
SCHEMBL7001049 0.78 TUBB4A (0.69) MAPTKMT2AALDH1A1KDM4EGAA
SCHEMBL7521371 0.78 HTR6 (0.53) MAPTKMT2AALDH1A1KDM4EHPGD
SCHEMBL7671532 0.76 HTR6 (0.68) MAPTTP53ALDH1A1KDM4EGAA
SCHEMBL31744875 0.74 HTR6 (0.62) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL14612343 0.73 LTA4H (0.62) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL1120783 0.72 ALDH1A1 (0.80) MAPTKMT2AALDH1A1KDM4EGAA
SCHEMBL4568446 0.72 TUBB4A (0.46) MAPTKMT2AALDH1A1KDM4EGAA
SCHEMBL8794611 0.71 ALDH1A1 (0.66) MAPTKMT2AALDH1A1KDM4EGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP disclosed
WO-2002030895-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-η BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 WO disclosed