SCHEMBL2650065

SCHEMBL2650065

COC(=O)c1ccc(CC(C(=O)OC(C)(C)C)C2CCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ EPHX1 P07099 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CYP4A11 Q02928 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL2647043 0.78 EPHX1 (0.55) SMN1; SMN2MAPK1EPHX1ALDH1A1HPGD
SCHEMBL2650064 0.75 GCK (0.42) ALDH1A1HPGDALOX15MGLLHSD17B10
SCHEMBL23582773 0.75 LOXL2 (0.49) SMN1; SMN2MAPK1ALDH1A1HDAC1HDAC6
SCHEMBL28393119 0.74 LOXL2 (0.51) SMN1; SMN2MAPK1EPHX1ALDH1A1HDAC1
SCHEMBL2654208 0.73 GCK (0.47) SMN1; SMN2MAPK1ALDH1A1KDM4EMEN1
SCHEMBL2659503 0.73 EPHX1 (0.55) SMN1; SMN2EPHX1ALDH1A1LOXL2MEN1
SCHEMBL23792335 0.72 LOXL2 (0.53) SMN1; SMN2MAPK1ALDH1A1HDAC1HDAC6
SCHEMBL2252275 0.71 CYP4A11 (0.51) SMN1; SMN2MAPK1ALDH1A1HPGDALOX15
SCHEMBL2686297 0.71 CTSS (0.51) —
SCHEMBL2250651 0.71 LOXL2 (0.50) SMN1; SMN2MAPK1ALDH1A1HPGDALOX15

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
EP-1594867-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS Prosidion Limited (GB) 2005-11-16 — — EP disclosed
WO-2004072031-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS PROSIDION LIMITED (GB) 2004-08-26 — — WO disclosed
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