SCHEMBL2364636

SCHEMBL2364636

COC(CCNC(C)=O)(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.46
MTNR1B P49286 13/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KCNN4 O15554 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2365011 0.85 MTNR1A (0.51) MTNR1AMTNR1BL3MBTL1
SCHEMBL10884186 0.81 MTNR1A (0.49) MTNR1AMTNR1BL3MBTL1KCNN4SMN1; SMN2
SCHEMBL2729130 0.75 CES1 (0.46) KCNN4
SCHEMBL2364653 0.75 MTNR1A (0.46) MTNR1AMTNR1BL3MBTL1
SCHEMBL28753479 0.74 CES1 (0.44) KCNN4SMN1; SMN2
SCHEMBL3363882 0.74 CES1 (0.44) KCNN4
SCHEMBL7924474 0.74 CES1 (0.44) KCNN4SMN1; SMN2
SCHEMBL6387363 0.74 CYP2C19 (0.53) KCNN4SMN1; SMN2
SCHEMBL31152049 0.73 HDAC3 (0.44) KCNN4SMN1; SMN2
SCHEMBL27276279 0.72 CES1 (0.37) L3MBTL1KCNN4

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
WO-2011092284-A1 NOVEL AMINO ACID DERIVATIVES AND THEIR USE AS GPR43 RECEPTOR MODULATORS EUROSCREEN S.A. (BE) 2011-08-04 WO disclosed