SCHEMBL31336458

SCHEMBL31336458

COC(=O)c1ccc(C(F)(F)F)c(-c2ccc(OCC3CCCCN3C(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 2/20 0.45
▸ GPR119 Q8TDV5 4/20 0.42
▸ PRMT5 O14744 1/20 0.41
▸ ALOX5AP P20292 3/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ EPHX2 P34913 2/20 0.39
▸ KDM1A O60341 1/20 0.38

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
SCHEMBL23826968 0.84 GPR119 (0.52) CHEK2GPR119EPHX2
SCHEMBL5151622 0.83 NPC1 (0.47) CHEK2GPR119ALOX5APFEN1
SCHEMBL26999489 0.78 CHRNB4 (0.47) ALOX5APFEN1KDM1A
SCHEMBL29410752 0.78 CHRNB4 (0.47) ALOX5APFEN1KDM1A
SCHEMBL29039401 0.78 CHRNB4 (0.47) ALOX5APFEN1KDM1A
SCHEMBL23826018 0.76 FFAR1 (0.46) CHEK2GPR119KDM1A
SCHEMBL5156379 0.76 ALOX5AP (0.46) ALOX5APFEN1
SCHEMBL31360101 0.76 ALOX5AP (0.43) CHEK2GPR119PRMT5ALOX5APFEN1
SCHEMBL31359908 0.76 ALOX5AP (0.43) CHEK2GPR119PRMT5ALOX5APFEN1
SCHEMBL25155946 0.76 ALOX5AP (0.43) CHEK2GPR119PRMT5ALOX5APFEN1

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-113302184-B 1,3, 4-Oxadiazolinone compounds and medicaments 日本新药株式会社 2024-11-22 — — CN disclosed
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