SCHEMBL13957115

SCHEMBL13957115

COC(=O)CCC(=O)Nc1ccc(O)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ POLB P06746 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ HTT P42858 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ PTPRC P08575 3/20 0.48
▸ PTPN13 Q12923 2/20 0.48
▸ CTSL P07711 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 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
SCHEMBL13957114 0.82 TDP1 (0.71) ALDH1A1POLBHSD17B10TDP1L3MBTL1
SCHEMBL8756355 0.77 EP300 (0.62) ALDH1A1POLBMAPTTDP1HTT
SCHEMBL8422543 0.76 ALDH1A1 (0.52) ALDH1A1POLBMAPTHSD17B10L3MBTL1
SCHEMBL2748272 0.75 ALDH1A1 (0.53) ALDH1A1POLBMAPTTDP1HTT
SCHEMBL29087668 0.75 HSD17B10 (0.67) ALDH1A1POLBMAPTHSD17B10CYP1A2
SCHEMBL1134320 0.74 HTT (0.59) ALDH1A1MAPTHSD17B10HTTHPGD
SCHEMBL6596633 0.74 SMN1; SMN2 (0.53) ALDH1A1POLBMAPTHSD17B10TDP1
SCHEMBL6012277 0.74 ALDH1A1 (0.51) ALDH1A1POLBMAPTHSD17B10CYP1A2
SCHEMBL30587103 0.74 ALDH1A1 (0.51) ALDH1A1POLBMAPTHSD17B10CYP1A2
SCHEMBL25556511 0.74 ALDH1A1 (0.51) ALDH1A1POLBMAPTHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 — — EP disclosed
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