SCHEMBL8846752

SCHEMBL8846752

[CH]=Cc1c(C(C)C)nc(C(C)C)c(C(=O)OCC)c1-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 0.54
SLC10A2 Q12908 1/20 0.46
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CACNB4 O00305 2/20 0.43
CACNA1A O00555 2/20 0.43
CACNA1G O43497 2/20 0.43
CACNG3 O60359 2/20 0.43
CACNA1F O60840 2/20 0.43
CACNA1H O95180 2/20 0.43
ACHE P22303 2/20 0.43
CACNB3 P54284 2/20 0.43
CACNA2D1 P54289 2/20 0.43
CACNG7 P62955 2/20 0.43
CACNA1B Q00975 2/20 0.43
CACNA1D Q01668 2/20 0.43
CACNB1 Q02641 2/20 0.43
CACNG1 Q06432 2/20 0.43
CACNB2 Q08289 2/20 0.43
CACNA1S Q13698 2/20 0.43

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
SCHEMBL2647789 0.90 GCGR (0.55) GCGRSLC10A2ALDH1A1L3MBTL1
SCHEMBL2648212 0.88 GCGR (0.62) GCGRSLC10A2ALDH1A1L3MBTL1
SCHEMBL2649262 0.85 GCGR (0.50) GCGRSLC10A2ALDH1A1
SCHEMBL2649264 0.85 GCGR (0.50) GCGRSLC10A2ALDH1A1
SCHEMBL5102017 0.83 GCGR (0.49) GCGRSLC10A2ALDH1A1L3MBTL1CACNB4
SCHEMBL2648227 0.82 GCGR (0.60) GCGRSLC10A2ALDH1A1L3MBTL1
SCHEMBL2647286 0.82 GCGR (0.79) GCGR
SCHEMBL2647128 0.82 GCGR (0.51) GCGRSLC10A2ALDH1A1L3MBTL1CACNB4
SCHEMBL9268564 0.81 GCGR (0.64) GCGRALDH1A1L3MBTL1
SCHEMBL2649395 0.80 GCGR (0.47) GCGRSLC10A2ALDH1A1L3MBTL1CACNB4

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-0641762-B1 Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof UBE INDUSTRIES (JP) 1997-05-28 EP disclosed
US-5457225-A Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof UBE INDUSTRIES LTD. (JP) 1995-10-10 US disclosed
EP-0641762-A1 Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof UBE INDUSTRIES, LTD. (JP) 1995-03-08 EP disclosed