SCHEMBL6945827

SCHEMBL6945827

CC(C)(C)OC(=O)c1c[c]ccc1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
EGFR P00533 1/20 0.34
ELANE P08246 1/20 0.33
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
GPR119 Q8TDV5 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GRM6 O15303 1/20 0.31

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
SCHEMBL28791104 0.84 CA12 (0.33) CA12CA1CA2CA9CA14
SCHEMBL27768243 0.84 NR3C2 (0.34) CA12CA1CA2CA9CA14
SCHEMBL11474155 0.84 EGFR (0.35) CA12CA1CA2CA9CA14
SCHEMBL27697960 0.84 CA12 (0.36) CA12CA1CA2CA9CA14
SCHEMBL27833658 0.83 MAPT (0.36) ELANEHSD17B10MAPTALDH1A1
SCHEMBL27383305 0.80 EGFR (0.35) CA12CA1CA2CA9CA14
SCHEMBL27323003 0.79 GRM6 (0.40) HSD17B10GPR119GABRA1GABRG2GABRB3
SCHEMBL130031 0.79 TSHR (0.44) CA12CA1CA2CA9CA14
SCHEMBL28018277 0.76 P2RX7 (0.34) CA12CA1CA2CA9ALDH1A1
SCHEMBL109178 0.76 TSHR (0.50) CA1CA2CA9ELANEADRA1A

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