SCHEMBL4442467

SCHEMBL4442467

COc1ccc(OCCCc2oc(-c3c[nH]c(C)n3)nc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HTT P42858 1/20 0.37
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PPARD Q03181 1/20 0.36
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL7516627 0.93 DRD2 (0.39) MAPTL3MBTL1SMN1; SMN2TDP1KCNH2
SCHEMBL7507160 0.91 TDP1 (0.44) MAPTL3MBTL1SMN1; SMN2RAB9ALMNA
SCHEMBL4440984 0.91 POLB (0.40) MAPTL3MBTL1SMN1; SMN2LMNATDP1
SCHEMBL7509782 0.90 TDP1 (0.41) L3MBTL1TDP1KCNH2AGERPTGDR2
SCHEMBL7511397 0.89 PTPN1 (0.41) MAPTSMN1; SMN2KCNH2PPARD
SCHEMBL7509113 0.89 KCNH2 (0.34) MAPTL3MBTL1SMN1; SMN2TDP1KCNH2
SCHEMBL7514067 0.87 MAPT (0.36) MAPTL3MBTL1SMN1; SMN2TDP1KCNH2
SCHEMBL4442879 0.87 HSD17B10 (0.38) MAPTL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL7508005 0.86 HTR1A (0.33) MAPTL3MBTL1SMN1; SMN2LMNATDP1
SCHEMBL7507831 0.86 SMN1; SMN2 (0.36) MAPTSMN1; SMN2NPC1RAB9ALMNA

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-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
EP-1206472-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS NEUROTROPHIN PRODUCTION/SECRETION PROMOTING AGENT Takeda Chemical Industries, Ltd. (JP) 2002-05-22 EP disclosed
WO-2001014372-A2 OXAZOLE AND THIAZOLE DERIVATIVES AS NEUROTROPHIN PRODUCTION/SECRETION PROMOTING AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-01 WO disclosed