SCHEMBL7656015

SCHEMBL7656015

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MMP2 P08253 1/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
PRNP P04156 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RNASEH1 O60930 1/20 0.37
NTRK1 P04629 3/20 0.36
DAO P14920 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7657259 0.91 NPC1 (0.39) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL6952449 0.89 MMP2 (0.45) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL7650918 0.88 NPC1 (0.40) KDM4ENPC1RAB9AMMP2LMNA
SCHEMBL6945281 0.88 MAPT (0.47) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL7649497 0.87 NPC1 (0.41) HPGDNPC1RAB9AMMP2HDAC6
SCHEMBL7653164 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL529011 0.86 RAB9A (0.48) ALDH1A1NPC1RAB9AMMP2HDAC6
SCHEMBL7654851 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL7656006 0.83 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL6953839 0.80 POLB (0.42) ALDH1A1HSD17B10NPC1RAB9AMMP2

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