SCHEMBL4715503

SCHEMBL4715503

CCOC(=O)CCNc1ccc(OC)cc1.O=C(O)CCNc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
FFAR1 O14842 1/20 0.48
KYAT1 Q16773 1/20 0.47
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
TOP2A P11388 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42
GLA P06280 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3140172 0.89 MAPT (0.58) POLBFFAR1KYAT1MAPTGAA
SCHEMBL11020358 0.87 TOP2A (0.50) POLBMAPTGAATDP1TOP2A
SCHEMBL3203778 0.84 POLB (0.68) POLBFFAR1MAPTGAATDP1
SCHEMBL11317541 0.81 MAPT (0.54) POLBKYAT1MAPTGAATOP2A
SCHEMBL5792896 0.80 GAA (0.53) POLBKYAT1MAPTGAATOP2A
SCHEMBL6829598 0.79 GAA (0.51) POLBMAPTGAAALDH1A1KMT2A
SCHEMBL28470217 0.78 MAPT (0.66) POLBFFAR1MAPTGAAALDH1A1
SCHEMBL16839943 0.78 NPC1 (0.61) POLBFFAR1MAPTTOP2AALDH1A1
SCHEMBL3129089 0.78 POLB (0.61) POLBFFAR1MAPTALDH1A1KMT2A
SCHEMBL9829525 0.76 MAPT (0.53) POLBFFAR1MAPTGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed