SCHEMBL3248291

SCHEMBL3248291

CC(=O)OOc1ccccc1Oc1cc(N)c(F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.37
ESRRA P11474 2/20 0.34
MAP2 P11137 2/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A4 P31645 1/20 0.33
FADS1 O60427 1/20 0.32

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
SCHEMBL3248294 0.87 KDM4E (0.39) SCN9AESRRAMAP2NPC1RAB9A
SCHEMBL3246041 0.77 PTGDR2 (0.50) ALDH1A1HPGDSMN1; SMN2KDM4EPOLB
SCHEMBL13841333 0.77 LMNA (0.50) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL6246195 0.76 SLC6A2 (0.40) SCN9AALDH1A1HPGDKDM4EKMT2A
SCHEMBL3926977 0.74 SLC6A2 (0.38) SCN9AESRRAALDH1A1HPGDSLC6A2
SCHEMBL17466053 0.74 KDM4E (0.42) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL3250913 0.74 HDAC1 (0.39) ALDH1A1SMN1; SMN2KMT2AMAPTGAA
SCHEMBL14639545 0.72 SLC6A2 (0.42) NPC1RAB9AMAPTSLC6A2SLC6A3
SCHEMBL27692981 0.71 NPC1 (0.42) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL7019837 0.71 HPGD (0.60) NPC1RAB9AALDH1A1HPGDSMN1; SMN2

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-1736052-B1 Stem/leaf desiccant SUMITOMO CHEMICAL CO (JP) 2010-04-21 EP disclosed
EP-1736052-A2 Stem/leaf desiccant Sumitomo Chemical Company, Limited (JP) 2006-12-27 EP disclosed
EP-1397958-A1 STEAM/LEAF DESSICANT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-03-17 EP disclosed
WO-2002098227-A1 PLANT GROWTH REGULATORS FOR COTTON HERVEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-12 WO disclosed