SCHEMBL31326469

SCHEMBL31326469

O=CC(CC(=O)O)Cc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.54
FDPS P14324 1/20 0.49
TBXAS1 P24557 12/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRM1 P11229 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 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
SCHEMBL1915970 0.82 CPA3 (0.56) CYP1A2
SCHEMBL27581965 0.80 NAPRT (0.59) NAPRTFDPSTBXAS1KDM4ELMNA
SCHEMBL2028393 0.78 DPP4 (0.57) NAPRTFDPSTBXAS1KDM4ELMNA
SCHEMBL29478409 0.78 DPP4 (0.57) NAPRTFDPSTBXAS1KDM4ELMNA
SCHEMBL20366127 0.78 CPA1 (0.67) NAPRTFDPSTBXAS1KDM4ELMNA
SCHEMBL2568949 0.78 KDM4E (0.54) NAPRTFDPSTBXAS1KDM4ELMNA
SCHEMBL29478423 0.78 DPP4 (0.57) NAPRTFDPSTBXAS1KDM4ELMNA
SCHEMBL2034613 0.78 DPP4 (0.57) NAPRTFDPSTBXAS1KDM4ELMNA
SCHEMBL2028392 0.78 DPP4 (0.57) NAPRTFDPSTBXAS1KDM4ELMNA
SCHEMBL6885074 0.75 KDM4E (0.62) NAPRTFDPSTBXAS1KDM4ELMNA

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-113166114-B Cyclic tetramer compounds as inhibitors of proprotein convertase subtilisin/KEXIN type 9 (PCSK 9) for the treatment of metabolic disorders 诺华股份有限公司 2025-01-03 CN disclosed