SCHEMBL7657259

SCHEMBL7657259

CCC(C)OC(=O)CC(O)c1cccc2nc(CCc3ccccc3)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MMP2 P08253 1/20 0.36
MAPT P10636 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RNASEH1 O60930 1/20 0.35
NTRK1 P04629 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.34
NTRK2 Q16620 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 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
SCHEMBL7656015 0.91 ALDH1A1 (0.42) NPC1RAB9AMMP2MAPTHDAC6
SCHEMBL6945281 0.87 MAPT (0.47) NPC1RAB9AMMP2MAPTHDAC6
SCHEMBL6952449 0.87 MMP2 (0.45) NPC1RAB9AMMP2MAPTHDAC6
SCHEMBL7653164 0.85 ALDH1A1 (0.42) NPC1RAB9AMMP2MAPTHDAC6
SCHEMBL7650918 0.85 NPC1 (0.40) NPC1RAB9AMMP2MAPTHDAC6
SCHEMBL7657249 0.84 NPC1 (0.39) NPC1RAB9AMMP2MAPTHDAC6
SCHEMBL7649497 0.84 NPC1 (0.41) NPC1RAB9AMMP2MAPTHDAC6
SCHEMBL7654851 0.83 ALDH1A1 (0.50) NPC1RAB9AMMP2MAPTKDM4E
SCHEMBL529011 0.83 RAB9A (0.48) NPC1RAB9AMMP2MAPTHDAC6
SCHEMBL6953839 0.79 POLB (0.42) NPC1RAB9AMMP2MAPTNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed