SCHEMBL29454649

SCHEMBL29454649

COc1cc(-c2ccc(C(=O)O)cc2)c(F)cn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.49
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
RXRA P19793 1/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
FFAR1 O14842 2/20 0.43
NNMT P40261 2/20 0.43
NEK2 P51955 1/20 0.43
CHEK1 O14757 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AAK1 Q2M2I8 1/20 0.42

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
SCHEMBL27810361 0.87 PTGS1 (0.45) LMNAMAPK1PDGFRBMKNK1MKNK2
SCHEMBL22717227 0.84 NNMT (0.49) RXRAFFAR4FFAR1NNMTNEK2
SCHEMBL17493598 0.83 OXTR (0.44) MKNK1MKNK2FFAR4FFAR1NNMT
SCHEMBL2313845 0.82 HTT (0.46) LMNAMAPK1HTTRAB9ANNMT
SCHEMBL2035417 0.81 PDGFRB (0.52) MAP4K4LMNAMAPK1HTTRAB9A
SCHEMBL29788124 0.81 PDGFRB (0.52) MAP4K4LMNAMAPK1HTTRAB9A
SCHEMBL22717189 0.79 ERN1 (0.44) LMNAMAPK1HTTRAB9AFFAR4
SCHEMBL2315022 0.79 MAPK1 (0.43) LMNAMAPK1HTTRAB9ANNMT
SCHEMBL29788196 0.79 FFAR2 (0.55) MAP4K4LMNAMAPK1HTTRAB9A
SCHEMBL2043863 0.79 FFAR2 (0.55) MAP4K4LMNAMAPK1HTTRAB9A

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-3976576-A1 GPR40 AGONISTS Kallyope, Inc. (US) 2022-04-06 EP disclosed