SCHEMBL14706331

SCHEMBL14706331

C=C1OCC(COc2ccc(C(c3ccc(OCC4COC(=O)O4)cc3)C(c3ccc(OCC4COC(=O)O4)cc3)c3ccc(OCC4COC(=O)O4)cc3)cc2)O1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.39
GRM2 Q14416 1/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL15445683 0.92 FFAR1 (0.43) FFAR1GRM2HPGDALDH1A1LMNA
SCHEMBL9999539 0.84 FFAR1 (0.43) FFAR1GRM2HPGDALDH1A1LMNA
SCHEMBL13003978 0.83 ALDH1A1 (0.49) FFAR1GRM2HPGDALDH1A1LMNA
SCHEMBL13231807 0.82 HPGD (0.57) FFAR1GRM2HPGDALDH1A1LMNA
SCHEMBL18357300 0.82 ALDH1A1 (0.53) FFAR1GRM2HPGDALDH1A1
SCHEMBL15003900 0.81 GRM2 (0.45) FFAR1GRM2HPGD
SCHEMBL11157955 0.79 GRM2 (0.51) FFAR1GRM2HPGDALDH1A1LMNA
SCHEMBL20962198 0.78 FFAR1 (0.42) FFAR1GRM2
SCHEMBL9840378 0.76 PKM (0.55) FFAR1GRM2HPGDALDH1A1LMNA
SCHEMBL9881096 0.76 ALDH1A1 (0.43) FFAR1GRM2HPGDALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377587-B2 Electrolyte for electrochemical device and the electrochemical device thereof TAIWAN HOPAX CHEMS, MFG. CO., LTD. (TW) 2013-02-19 US disclosed