SCHEMBL9269784

SCHEMBL9269784

CCOC(=O)c1c(C(C)C)nc(C2CC2)c(C(O[SiH](C)C)C(C)(C)C)c1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.41
SLC10A2 Q12908 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
GPR55 Q9Y2T6 1/20 0.35
KDM4E B2RXH2 4/20 0.35
CACNB4 O00305 2/20 0.35
CACNA1A O00555 2/20 0.35
CACNA1G O43497 2/20 0.35
CACNG3 O60359 2/20 0.35
CACNA1F O60840 2/20 0.35
CACNA1H O95180 2/20 0.35
ACHE P22303 2/20 0.35
CACNB3 P54284 2/20 0.35
CACNA2D1 P54289 2/20 0.35
CACNG7 P62955 2/20 0.35

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
SCHEMBL2647302 0.90 GCGR (0.48) GCGRSLC10A2TRPM8ALDH1A1L3MBTL1
SCHEMBL9152685 0.85 GCGR (0.45) GCGRSLC10A2TRPM8ALDH1A1L3MBTL1
SCHEMBL9743385 0.83 TRPM8 (0.38) GCGRSLC10A2TRPM8ALDH1A1L3MBTL1
SCHEMBL9273566 0.82 GCGR (0.50) GCGRSLC10A2TRPM8ALDH1A1L3MBTL1
SCHEMBL6963404 0.82 GCGR (0.47) GCGRPRKAA2
SCHEMBL9271191 0.81 GCGR (0.60) GCGRSLC10A2TRPM8ALDH1A1L3MBTL1
SCHEMBL6953311 0.80 GCGR (0.49) GCGRPRKAA2
SCHEMBL9267251 0.78 GCGR (0.53) GCGRSLC10A2ALDH1A1L3MBTL1MAPT
SCHEMBL9269790 0.77 GCGR (0.46) GCGRSLC10A2ALDH1A1L3MBTL1MEN1
SCHEMBL2648212 0.75 GCGR (0.62) GCGRSLC10A2TRPM8ALDH1A1L3MBTL1

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
US-5401746-A FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND HMG-COA REDUCTASE BAYER AKTIENGESELLSCHAFT (DE) 1995-03-28 US disclosed
US-5169857-A Anticholesterol agents BAYER AKTIENGESELLSCHAFT (DE) 1992-12-08 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