SCHEMBL29249355

SCHEMBL29249355

COc1ccc(COc2ccc(N(CC(=O)O)CC(=O)O)c(N(CC(=O)O)CC(=O)O)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.55
KEAP1 Q14145 6/20 0.54
NFE2L2 Q16236 6/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAOB P27338 2/20 0.49
SMPD1 P17405 1/20 0.48
PLA2G4B P0C869 1/20 0.48
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL29249353 0.88 NPC1 (0.51) FFAR1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL29249358 0.87 MAOB (0.53) FFAR1KEAP1NFE2L2MAOB
SCHEMBL29249366 0.87 MAOB (0.62) FFAR1KEAP1NFE2L2NPC1RAB9A
SCHEMBL29249363 0.80 MAPT (0.47) FFAR1KEAP1NFE2L2SMN1; SMN2PLA2G4B
SCHEMBL502833 0.74 RAB9A (0.51) FFAR1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL17112348 0.73 FFAR1 (0.71) FFAR1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL29249362 0.73 NPC1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8425312 0.73 RAB9A (0.65) FFAR1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL340292 0.71 KEAP1 (0.59) KEAP1NFE2L2NPC1POLBRAB9A
SCHEMBL5250063 0.71 FFAR1 (1.00) FFAR1NPC1POLBRAB9ASMN1; 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
CN-118324653-A Compound, metal compound, preparation method and application thereof, contrast agent and imaging method 四川大学 2024-07-12 CN disclosed