SCHEMBL9737768

SCHEMBL9737768

CCOC(=O)c1c(C(C)C)nc(C)c(C(=O)OC)c1-c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.64
GAA P10253 3/20 0.56
POLB P06746 1/20 0.56
HTT P42858 1/20 0.54
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
CACNB4 O00305 2/20 0.48
CACNA1A O00555 2/20 0.48
CACNA1G O43497 2/20 0.48
CACNG3 O60359 2/20 0.48
CACNA1F O60840 2/20 0.48
CACNA1H O95180 2/20 0.48

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
SCHEMBL8178136 0.91 GCGR (0.64) GCGRGAAPOLBHTTALDH1A1
SCHEMBL13482768 0.91 GCGR (0.64) GCGRGAAPOLBHTTALDH1A1
SCHEMBL2648212 0.89 GCGR (0.62) GCGRGAAPOLBHTTALDH1A1
SCHEMBL9152067 0.89 GCGR (0.61) GCGRGAAPOLBHTTALDH1A1
SCHEMBL3192181 0.89 GCGR (0.61) GCGRGAAPOLBHTTALDH1A1
SCHEMBL8949663 0.87 GCGR (0.61) GCGRGAAPOLBHTTALDH1A1
SCHEMBL6565362 0.85 GCGR (0.79) GCGRSMN1; SMN2LMNANPC1RAB9A
SCHEMBL5102023 0.84 GCGR (0.56) GCGRGAAPOLBHTTALDH1A1
SCHEMBL2649345 0.84 GCGR (0.67) GCGRGAAPOLBHTTALDH1A1
SCHEMBL5101638 0.84 GCGR (0.58) GCGRGAAPOLBHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5173495-A 7-[(2,6-dialkyl-4-furyl or thienyl-pyridyl)]-3,5-di-(dihydroxy-6-enoates) useful for treating circulatory diseases BAYER AKTIENGESELLSCHAFT (DE) 1992-12-22 US disclosed
US-5006530-A Certain 7-[2,6-diisopropyl-4-phenyl-5-lower alkoxymethyl-pyrid-3-yl]-3,5-dihydroxy-6-enoates and derivatives useful for treating circulatory diseases BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed