SCHEMBL31326544

SCHEMBL31326544

Cc1cc(OCC(=O)O)cc(C)c1-c1nc2ccc(-c3nnc(-c4ccc(Cl)cc4)o3)cc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 6/20 0.63
▸ GUSB P08236 6/20 0.53
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45
▸ SIRT3 Q9NTG7 1/20 0.45
▸ CHEK2 O96017 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ EGFR P00533 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1252723 1.00 DGAT1 (0.63) DGAT1GUSBSIRT2SIRT1SIRT3
SCHEMBL1252769 0.91 DGAT1 (0.59) DGAT1GUSBSIRT2SIRT1SIRT3
SCHEMBL1252108 0.91 DGAT1 (0.65) DGAT1GUSBSIRT2SIRT1SIRT3
SCHEMBL1250496 0.84 DGAT1 (0.80) DGAT1GUSBSIRT2SIRT1SIRT3
SCHEMBL1252809 0.83 DGAT1 (0.62) DGAT1GUSBSIRT2SIRT1SIRT3
SCHEMBL10299681 0.81 DGAT1 (0.81) DGAT1GUSBSIRT2SIRT1SIRT3
SCHEMBL1252721 0.80 DGAT1 (0.79) DGAT1GUSBMAPTEGFRERBB2
SCHEMBL1252216 0.78 DGAT1 (1.00) DGAT1GUSBCHEK2
SCHEMBL30385298 0.78 DGAT1 (1.00) DGAT1GUSBCHEK2
SCHEMBL30385333 0.78 DGAT1 (0.60) DGAT1GUSBSIRT2SIRT1SIRT3

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-113166204-B Cyclic peptides 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 2025-01-28 — — CN disclosed
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
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