SCHEMBL6950110

SCHEMBL6950110

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.43
GABRA1 P14867 6/20 0.41
GABRG2 P18507 6/20 0.41
GABRB3 P28472 6/20 0.41
GABRA3 P34903 6/20 0.41
GABRA2 P47869 6/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALOX15 P16050 1/20 0.36
SRD5A1 P18405 1/20 0.35
ABCG2 Q9UNQ0 2/20 0.34
ABCB1 P08183 1/20 0.34
ELANE P08246 1/20 0.34
GABRA5 P31644 4/20 0.34
GABRA4 P48169 3/20 0.34
GABRA6 Q16445 3/20 0.34
STAT3 P40763 2/20 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
SCHEMBL28916660 0.90 SLC7A5 (0.45) SLC7A5GABRA1GABRG2GABRB3GABRA3
SCHEMBL8821951 0.83 GPR119 (0.37) SLC7A5GABRA1GABRG2GABRB3GABRA3
SCHEMBL3903477 0.81 GABRA1 (0.40) SLC7A5GABRA1GABRG2GABRB3GABRA3
SCHEMBL6349308 0.81 SLC7A5 (0.43) SLC7A5GABRA1GABRG2GABRB3GABRA3
SCHEMBL17054121 0.81 NR1H2 (0.37) SLC7A5GABRA1GABRG2GABRB3GABRA3
SCHEMBL1299593 0.81 CNR1 (0.40) SLC7A5GABRA1GABRG2GABRB3GABRA3
SCHEMBL4040319 0.81 GABRA1 (0.40) SLC7A5GABRA1GABRG2GABRB3GABRA3
SCHEMBL27621204 0.79 GABRA1 (0.39) SLC7A5GABRA1GABRG2GABRB3GABRA3
SCHEMBL128693 0.77 CA1 (0.48) CA12CA1CA2CA9CA14
SCHEMBL543053 0.76 CA12 (0.49) SLC7A5GABRA1GABRG2GABRB3GABRA3

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