SCHEMBL30816804

SCHEMBL30816804

COC(=O)C1(C(=O)Cl)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.33

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
SCHEMBL4726408 0.98 NPSR1 (0.45) NPSR1CYP4F2CYP4A11ALDH1A1L3MBTL1
SCHEMBL2141041 0.95 NPSR1 (0.42) NPSR1CYP4F2CYP4A11ALDH1A1L3MBTL1
SCHEMBL668965 0.91 NPSR1 (0.40) NPSR1CYP4F2CYP4A11ALDH1A1L3MBTL1
SCHEMBL759802 0.85 NPSR1 (0.54) NPSR1CYP4F2CYP4A11ALDH1A1L3MBTL1
SCHEMBL594374 0.83 NPSR1 (0.52) NPSR1CYP4F2CYP4A11ALDH1A1L3MBTL1
SCHEMBL4870814 0.83 NPSR1 (0.52) NPSR1CYP4F2CYP4A11ALDH1A1L3MBTL1
SCHEMBL9806699 0.83 NPSR1 (0.52) NPSR1CYP4F2CYP4A11ALDH1A1L3MBTL1
SCHEMBL11378256 0.81 NPSR1 (0.42) NPSR1CYP4F2CYP4A11ALDH1A1L3MBTL1
SCHEMBL230256 0.80 NPSR1 (0.48) NPSR1CYP4F2CYP4A11ALDH1A1L3MBTL1
Ethylene SCHEMBL11214910 0.79 NPSR1 (0.48) NPSR1CYP4F2CYP4A11ALDH1A1L3MBTL1

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-117659023-A Pyridine acetamide derivative, pharmaceutical composition containing same and medical application of pyridine acetamide derivative 苏州阿尔脉生物科技有限公司 2024-03-08 CN disclosed