SCHEMBL6948766

SCHEMBL6948766

CCOC(=O)CC(O)c1cccc2[nH]c(CCc3ccc(O)cc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.47
MAPT P10636 1/20 0.43
HSD17B10 Q99714 2/20 0.40
NTRK1 P04629 4/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
NTRK2 Q16620 1/20 0.37
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35

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
SCHEMBL6945277 0.92 CHEK1 (0.48) CHEK1MAPTHSD17B10NTRK1ALDH1A1
SCHEMBL29828622 0.92 CHEK1 (0.48) CHEK1MAPTHSD17B10NTRK1ALDH1A1
SCHEMBL6948771 0.84 MAPT (0.43) MAPTHSD17B10NTRK1ALDH1A1KDM4E
SCHEMBL7653156 0.84 ALDH1A1 (0.42) CHEK1MAPTHSD17B10NTRK1ALDH1A1
SCHEMBL6950391 0.82 CHEK1 (0.52) CHEK1MAPTHSD17B10NTRK1ALDH1A1
Hydrochloric Acid SCHEMBL6949932 0.82 MAPT (0.42) CHEK1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL7654820 0.82 ALDH1A1 (0.50) CHEK1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL7650912 0.82 NPC1 (0.40) CHEK1MAPTHSD17B10NTRK1KDM4E
SCHEMBL6953837 0.82 CHEK1 (0.43) CHEK1MAPTHSD17B10NTRK1ALDH1A1
Hydrochloric Acid SCHEMBL6953890 0.82 CHEK1 (0.51) CHEK1MAPTHSD17B10NTRK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0936218-B1 BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
EP-0936218-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 EP disclosed