SCHEMBL10260737

SCHEMBL10260737

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 3/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
EGFR P00533 2/20 0.46
ALOX5 P09917 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 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
SCHEMBL22668050 0.87 SMN1; SMN2 (0.54) MAOBSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL434016 0.82 RAB9A (0.49) MAOBSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL22668372 0.80 FFAR1 (0.47) MAOBSMN1; SMN2ALDH1A1HTTALOX5
SCHEMBL432798 0.78 RAB9A (0.58) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL22668051 0.78 FFAR1 (0.51) MAOBSMN1; SMN2ALDH1A1HTTALOX5
SCHEMBL16681724 0.76 CHRNB2 (0.53) SMN1; SMN2MAPTALDH1A1GAAL3MBTL1
SCHEMBL9995389 0.76 CHRNB2 (0.53) SMN1; SMN2MAPTALDH1A1GAAL3MBTL1
SCHEMBL9787125 0.76 PLA2G4B (0.67) MAOBSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL434798 0.75 FFAR1 (0.60) MAOBSMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL434797 0.75 FFAR1 (0.60) MAOBSMN1; SMN2RAB9AMAPTALDH1A1

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-2012011125-A1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2012-01-26 WO disclosed