SCHEMBL29013190

SCHEMBL29013190

O=C(O)C1CCN(c2ccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc2F)C(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.42
FFAR4 Q5NUL3 3/20 0.39
FEN1 P39748 3/20 0.38
GRM5 P41594 1/20 0.37
ALOX5AP P20292 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F10 P00742 1/20 0.34
FFAR2 O15552 1/20 0.34

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
SCHEMBL25031052 0.91 MAPT (0.39) FFAR4NPC1RAB9ASMN1; SMN2
SCHEMBL30479044 0.91 MAPT (0.39) FFAR4NPC1RAB9ASMN1; SMN2
SCHEMBL29013177 0.89 FFAR4 (0.47) S1PR5FFAR4FEN1GRM5NPC1
SCHEMBL30478992 0.88 FFAR4 (0.40) FFAR4FEN1GRM5ALOX5AP
SCHEMBL25938994 0.88 FFAR4 (0.40) FFAR4FEN1GRM5ALOX5AP
SCHEMBL25935253 0.83 MAPT (0.40) FFAR4SMN1; SMN2
SCHEMBL29013187 0.83 GRM5 (0.38) S1PR5FFAR4FEN1GRM5PTGDR2
SCHEMBL25419978 0.81 FFAR4 (0.43) FFAR4FEN1GRM5ALOX5AP
SCHEMBL30475482 0.81 MAPT (0.44) FFAR4SMN1; SMN2
SCHEMBL25937000 0.81 MAPT (0.44) FFAR4SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116261458-B PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 CN disclosed