SCHEMBL22668372

SCHEMBL22668372

CN(C)C(CC(=O)O)c1ccc(OCc2ccc(OCC(=N)c3ccccc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.47
MAOB P27338 1/20 0.45
ALOX5 P09917 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL22668361 0.86 FFAR1 (0.41) FFAR1MAOBALOX5ALDH1A1HTT
SCHEMBL22668051 0.85 FFAR1 (0.51) FFAR1MAOBALOX5ALDH1A1HTT
SCHEMBL22668068 0.84 FFAR1 (0.48) FFAR1ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL22668106 0.81 MMP9 (0.49) FFAR1ALOX5
SCHEMBL22668399 0.81 PPARG (0.57) FFAR1MAOBALDH1A1HTTSMN1; SMN2
SCHEMBL22668115 0.81 FFAR1 (0.46) FFAR1MAOBALDH1A1HTTSMN1; SMN2
SCHEMBL22668393 0.80 FFAR1 (0.56) FFAR1
SCHEMBL22668082 0.80 FFAR1 (0.51) FFAR1ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL10260737 0.80 MAOB (0.52) MAOBALOX5ALDH1A1HTTSMN1; SMN2
SCHEMBL22668311 0.78 PLA2G4B (0.55) FFAR1MAOBALDH1A1HTTSMN1; SMN2

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
EP-2595952-B1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-11-18 EP disclosed