SCHEMBL6631373

SCHEMBL6631373

Nc1ccc(C(C=O)N2CCOCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
GRM5 P41594 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
FKBP1A P62942 2/20 0.35
TSHR P16473 1/20 0.35
CD274 Q9NZQ7 1/20 0.33
KCNA5 P22460 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACHE P22303 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
SCHEMBL4073260 0.83 MGLL (0.41) NPC1RAB9AALDH1A1SMN1; SMN2GRM5
SCHEMBL12068487 0.83 ALDH1A1 (0.50) ALDH1A1GRM5TSHRKCNA5CYP3A4
SCHEMBL1516145 0.83 ALDH1A1 (0.50) ALDH1A1GRM5TSHRKCNA5CYP3A4
SCHEMBL16969029 0.82 ALDH1A1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2GRM5
Hydrochloric Acid SCHEMBL68317 0.81 ALDH1A1 (0.53) ALDH1A1GRM5TSHRKCNA5CYP3A4
SCHEMBL4062782 0.81 KMT2A (0.45) NPC1RAB9AALDH1A1SMN1; SMN2GRM5
SCHEMBL3935389 0.80 KDM4E (0.44) ALDH1A1SMN1; SMN2GAAMAPTTSHR
SCHEMBL17338815 0.80 MIF (0.46) ALDH1A1SMN1; SMN2CD274KCNA5CYP3A4
SCHEMBL6073665 0.78 MAPT (0.52) ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL7715195 0.78 PLA2G7 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
EP-1303260-A2 LINKAGE OF AGENTS USING MICROPARTICLES Pericor Science, Inc. (US) 2003-04-23 EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 WO disclosed
EP-1203141-A1 LINKAGE OF AGENTS TO TISSUE Pericor Science, Inc. (US) 2002-05-08 EP disclosed
EP-1202706-A1 LYSINE OXIDASE LINKAGE OF AGENTS TO TISSUE Pericor Science, Inc. (US) 2002-05-08 EP disclosed
WO-2002007707-A2 LINKAGE OF AGENTS USING MICROPARTICLES PERICOR SCIENCE, INC. (US) 2002-01-31 WO disclosed
WO-2001007009-A1 LYSINE OXIDASE LINKAGE OF AGENTS TO TISSUE PERICOR SCIENCE, INC. (US) 2001-02-01 WO disclosed
WO-2001006829-A2 LINKAGE OF AGENTS TO TISSUE PERICOR SCIENCE, INC. (US) 2001-02-01 WO disclosed
EP-1054998-A1 TRANSGLUTAMINASE LINKAGE OF AGENTS TO TISSUE Pericor Science, Inc. (US) 2000-11-29 EP disclosed
WO-1999036570-A2 TRANSGLUTAMINASE LINKAGE OF AGENTS TO TISSUE PERICOR SCIENCE INC (US) 1999-07-22 WO disclosed
WO-1999030690-A1 ORAL DELIVERY FORMULATION AXIA THERAPEUTICS, INC. (US) 1999-06-24 WO disclosed