SCHEMBL6946564

SCHEMBL6946564

CCC(C)OC(=O)c1[c]cc(C(=O)OC(C)CC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 3/20 0.36
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
ADORA2B P29275 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
GABRA1 P14867 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 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
SCHEMBL6952994 0.83 CA12 (0.55) TSHRCA12CA1CA2CA7
SCHEMBL1965809 0.81 CA12 (0.53) TSHRCA12CA1CA2CA7
SCHEMBL6948242 0.77 GABRA1 (0.39) TSHRCA12CA1CA2CA7
SCHEMBL4736415 0.76 CA12 (0.48) TSHRCA12CA1CA2CA7
SCHEMBL6951716 0.76 LMNA (0.40) TSHRL3MBTL1MAPTADORA2BPDCD1
SCHEMBL6953946 0.76 MAPT (0.41) TSHRALDH1A1MAPTADORA2BGABRA1
SCHEMBL13784553 0.75 CA1 (0.52) TSHRCA12CA1CA2CA7
SCHEMBL92240 0.75 L3MBTL1 (0.55) TSHRCA12CA1CA2CA7
SCHEMBL10705086 0.75 CYP4F2 (0.53) TSHRCA12CA1CA2CA7
SCHEMBL9724886 0.75 CA12 (0.67) TSHRCA12CA1CA2CA7

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