SCHEMBL22668247

SCHEMBL22668247

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
PARP10 Q53GL7 1/20 0.46
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FFAR1 O14842 1/20 0.44
PPARG P37231 1/20 0.44
PLA2G4B P0C869 1/20 0.43
MAOB P27338 1/20 0.43
MRGPRX1 Q96LB2 1/20 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
SCHEMBL22668106 0.89 MMP9 (0.49) ALOX5PARP10FFAR1PLA2G4BMRGPRX1
SCHEMBL22668115 0.80 FFAR1 (0.46) ALDH1A1HTTSMN1; SMN2RXRARXRB
SCHEMBL22668399 0.79 PPARG (0.57) ALDH1A1HTTSMN1; SMN2GAAMAPT
SCHEMBL22668068 0.78 FFAR1 (0.48) ALDH1A1HTTSMN1; SMN2RXRARXRB
SCHEMBL22668372 0.77 FFAR1 (0.47) ALOX5ALDH1A1HTTSMN1; SMN2RXRA
SCHEMBL7167438 0.76 MAOB (0.58) ALOX5PARP10L3MBTL1FFAR1MAOB
SCHEMBL22668311 0.76 PLA2G4B (0.55) ALDH1A1HTTSMN1; SMN2GAAMAPT
SCHEMBL433975 0.76 FFAR1 (0.62) ALOX5ALDH1A1HTTSMN1; SMN2PARP10
SCHEMBL433976 0.76 FFAR1 (0.62) ALOX5ALDH1A1HTTSMN1; SMN2PARP10
SCHEMBL7908556 0.75 MAOB (0.56) ALOX5PARP10L3MBTL1FFAR1PPARG

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