SCHEMBL6950001

SCHEMBL6950001

CC(C)OC(=O)c1[c]ccc(C(=O)OC(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.53
CA1 P00915 6/20 0.53
CA2 P00918 6/20 0.53
CA7 P43166 6/20 0.53
CA9 Q16790 6/20 0.53
CA14 Q9ULX7 6/20 0.53
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
JMJD6 Q6NYC1 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL6948242 0.84 GABRA1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL6134999 0.81 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL440420 0.80 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL128693 0.77 CA1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL129051 0.76 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL6950073 0.76 ALDH1A1 (0.47) NPC1RAB9AHTTMAPTJMJD6
SCHEMBL130469 0.75 PDCD1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL8772807 0.74 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL6952994 0.74 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL43683 0.74 NPC1 (0.65) CA12CA1CA2CA7CA9

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