SCHEMBL4789760

SCHEMBL4789760

NCC(=O)Oc1ccc(O)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
SNCA P37840 1/20 0.35
MIF P14174 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
MAOB P27338 1/20 0.33
AOC3 Q16853 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL27575306 0.86 MAOB (0.45) MAPTLMNAHSD17B10ALDH1A1HTT
SCHEMBL10814685 0.84 MAPT (0.38) MAPTLMNAHSD17B10POLBKDM4E
SCHEMBL29175141 0.81 TDP1 (0.45) MAPTLMNAHSD17B10KDM4EALDH1A1
SCHEMBL25797963 0.81 KMT2A (0.47) MAPTLMNAHSD17B10POLBKDM4E
SCHEMBL4311410 0.80 MEN1 (0.53) MAPTLMNAHSD17B10POLBKDM4E
SCHEMBL9649697 0.79 CA2 (0.42) MAPTLMNAHSD17B10KDM4EESR1
SCHEMBL28642071 0.78 SOS1 (0.45) MAPTHSD17B10HTTKMT2ANPC1
SCHEMBL10593035 0.78 POLB (0.40) MAPTLMNAHSD17B10POLBALDH1A1
SCHEMBL28964153 0.78 ALDH1A1 (0.49) MAPTHSD17B10POLBKDM4EALDH1A1
SCHEMBL4791444 0.77 TSHR (0.50) MAPTLMNAHSD17B10POLBKDM4E

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