SCHEMBL2318036

SCHEMBL2318036

CC(C)Cn1ncc(OCc2ccc(COCCO)cc2)c(Cl)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 5/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPK14 Q16539 5/20 0.34
▸ NPSR1 Q6W5P4 4/20 0.33
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ ITGB1 P05556 2/20 0.33
▸ ITGA4 P13612 2/20 0.33
▸ ITGB7 P26010 2/20 0.33
▸ NR4A2 P43354 1/20 0.33
▸ PDE9A O76083 1/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ PKM P14618 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ S1PR2 O95136 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ HCRTR1 O43613 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
SCHEMBL2321817 0.89 MAPK14 (0.36) HTTALDH1A1SMN1; SMN2MAPK14NPSR1
SCHEMBL2324267 0.89 NPBWR1 (0.38) HTTALDH1A1SMN1; SMN2MAPK14NPSR1
SCHEMBL15564823 0.84 BPTF (0.42) HTTMAPK14NPSR1POLBITGB1
SCHEMBL2324074 0.84 MAPK14 (0.39) HTTALDH1A1SMN1; SMN2MAPK14NPSR1
SCHEMBL18672242 0.84 NR2E3 (0.35) HTTALDH1A1SMN1; SMN2MAPK14NPSR1
SCHEMBL1629038 0.80 SMN1; SMN2 (0.45) HTTALDH1A1SMN1; SMN2MAPK14NPSR1
SCHEMBL2360721 0.78 HTT (0.33) HTTALDH1A1SMN1; SMN2MAPK14NPSR1
SCHEMBL15566104 0.76 BPTF (0.45) MAPK14PDE9AGAAEGLN1
SCHEMBL19356577 0.76 MAPK14 (0.38) HTTALDH1A1SMN1; SMN2MAPK14NR2E3
SCHEMBL18401357 0.75 MAPK14 (0.36) HTTALDH1A1SMN1; SMN2MAPK14NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2534136-A2 METHODS AND APPARATUS FOR SYNTHESIZING IMAGING AGENTS, AND INTERMEDIATES THEREOF Lantheus Medical Imaging, Inc. (US) 2012-12-19 — — EP disclosed
WO-2011097649-A2 METHODS AND APPARATUS FOR SYNTHESIZING IMAGING AGENTS, AND INTERMEDIATES THEREOF LANTHEUS MEDICAL IMAGING, INC. (US) 2011-08-11 — — WO disclosed
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