SCHEMBL8211772

SCHEMBL8211772

CCSc1ccc(C(=O)CCC(=O)COc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 5/20 0.47
PLA2G2A P14555 1/20 0.46
PLA2G4A P47712 1/20 0.46
NPC1 O15118 4/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.43
USP2 O75604 1/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
MMP1 P03956 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7490343 0.86 ALDH1A1 (0.46) PLA2G4BPLA2G2APLA2G4ANPC1MAPT
SCHEMBL7878279 0.73 MAPT (0.59) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL458027 0.71 ALOX15 (0.67) PLA2G4BMAPTGAAALDH1A1CYP2C19
SCHEMBL3373804 0.70 HPGD (0.47) PLA2G4BNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6247942 0.70 PLA2G4B (0.57) PLA2G4BPLA2G4AALOX15
SCHEMBL9770243 0.70 LTA4H (0.53) MAPTRAB9ALMNAALDH1A1
SCHEMBL11356807 0.70 ALDH1A1 (0.54) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL11457622 0.69 SMN1; SMN2 (0.52) NPC1MAPTRAB9ASMN1; SMN2GAA
SCHEMBL464497 0.69 ALOX15 (0.63) PLA2G4BNPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL1743419 0.69 PLA2G4B (0.57) PLA2G4BPLA2G4AALOX15

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
US-6020343-A (Methylsulfonyl)phenyl-2-(5H)-furanones as COX-2 inhibitors MERCK FROSST CANADA, INC. (CA) 2000-02-01 US disclosed