SCHEMBL6950352

SCHEMBL6950352

CCC(C)OC(=O)c1[c]cccc1C(=O)OC(C)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
ADRA1A P35348 1/20 0.41
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
GABRA1 P14867 3/20 0.36
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA5 P31644 3/20 0.36
GABRA3 P34903 3/20 0.36
GABRA2 P47869 3/20 0.36
GABRA6 Q16445 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 3/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 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
SCHEMBL6948735 0.84 NPC1 (0.46) ALDH1A1ADRA1AKMT2AL3MBTL1MAPT
SCHEMBL6231293 0.80 ALDH1A1 (0.58) ALDH1A1ADRA1ASCN1ASCN2ASCN3A
SCHEMBL6953946 0.75 MAPT (0.41) ALDH1A1ADRA1ASCN1ASCN2ASCN3A
SCHEMBL39200 0.74 LMNA (0.55) ALDH1A1ADRA1ASCN1ASCN2ASCN3A
SCHEMBL20561123 0.74 ALDH1A1 (0.49) ALDH1A1ADRA1ASCN1ASCN2ASCN3A
SCHEMBL1452206 0.74 TSHR (0.61) ALDH1A1KMT2AL3MBTL1MAPTUSP2
SCHEMBL2989810 0.74 ALDH1A1 (0.68) ALDH1A1ADRA1ASCN1ASCN2ASCN3A
SCHEMBL13328208 0.74 SMN1; SMN2 (0.58) ALDH1A1ADRA1ASCN1ASCN2ASCN3A
SCHEMBL15204568 0.74 ALDH1A1 (0.49) ALDH1A1ADRA1ASCN1ASCN2ASCN3A
SCHEMBL8880799 0.74 ALDH1A1 (0.52) ALDH1A1ADRA1ASCN1ASCN2ASCN3A

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