SCHEMBL9466134

SCHEMBL9466134

O=C(O)CCC(=O)CC(=O)c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLOD2 O00469 2/20 0.68
▸ PLOD3 O60568 1/20 0.56
▸ PLOD1 Q02809 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ APP P05067 1/20 0.53
▸ HCAR3 P49019 1/20 0.53
▸ HCAR2 Q8TDS4 1/20 0.53
▸ TBXAS1 P24557 10/20 0.52
▸ HDAC1 Q13547 2/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ TBXA2R P21731 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL14110105 0.87 PLOD2 (0.72) PLOD2PLOD3PLOD1ALDH1A1GAA
SCHEMBL29450185 0.86 PLOD2 (0.66) PLOD2PLOD3PLOD1ALDH1A1GAA
SCHEMBL2638149 0.86 PLOD2 (0.66) PLOD2PLOD3PLOD1ALDH1A1GAA
SCHEMBL2694778 0.84 PLOD2 (0.79) PLOD2PLOD3PLOD1ALDH1A1GAA
SCHEMBL4947413 0.83 PLOD2 (0.61) PLOD2PLOD3PLOD1ALDH1A1GAA
SCHEMBL29554726 0.82 PLOD2 (0.89) PLOD2PLOD3PLOD1ALDH1A1GAA
SCHEMBL10320930 0.82 PLOD2 (0.89) PLOD2PLOD3PLOD1ALDH1A1GAA
SCHEMBL30440488 0.81 PLOD2 (1.00) PLOD2PLOD3PLOD1ALDH1A1GAA
SCHEMBL4625207 0.81 PLOD2 (1.00) PLOD2PLOD3PLOD1ALDH1A1GAA
SCHEMBL6563638 0.81 ALDH1A1 (0.74) PLOD2PLOD3PLOD1ALDH1A1GAA

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
US-5242940-A Antiinflammatory agents ORTHO PHARMACEUTICAL CORPORATION (US) 1993-09-07 — — US disclosed
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