SCHEMBL22129598

SCHEMBL22129598

C=COC(=O)CC(=O)c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.59
PLOD3 O60568 2/20 0.54
PLOD1 Q02809 2/20 0.54
ALDH1A1 P00352 3/20 0.49
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
THRB P10828 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
GAA P10253 2/20 0.46
APP P05067 1/20 0.46
HCAR3 P49019 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
SARM1 Q6SZW1 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45

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
SCHEMBL22129582 0.87 PLOD2 (0.50) PLOD2PLOD3PLOD1ALDH1A1HDAC1
SCHEMBL23926888 0.84 HDAC1 (0.53) PLOD2PLOD3PLOD1ALDH1A1HDAC1
SCHEMBL30489909 0.81 PLOD2 (0.67) PLOD2PLOD3PLOD1ALDH1A1HDAC1
SCHEMBL82139 0.81 PLOD2 (0.67) PLOD2PLOD3PLOD1ALDH1A1HDAC1
SCHEMBL22129609 0.81 PLOD2 (0.53) PLOD2PLOD3PLOD1ALDH1A1GAA
SCHEMBL10320930 0.80 PLOD2 (0.89) PLOD2PLOD3PLOD1ALDH1A1HDAC1
SCHEMBL29554726 0.80 PLOD2 (0.89) PLOD2PLOD3PLOD1ALDH1A1HDAC1
Hydrochloric Acid SCHEMBL6946997 0.80 PLOD2 (0.65) PLOD2PLOD3PLOD1ALDH1A1HDAC1
SCHEMBL2531432 0.79 ALDH1A1 (0.61) ALDH1A1HDAC1THRBHDAC6GAA
SCHEMBL81386 0.77 PLOD2 (0.61) PLOD2PLOD3PLOD1ALDH1A1HDAC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441823-B2 Resin composition for optical shaping KURARAY NORITAKE DENTAL INC. (JP) 2025-10-14 US disclosed
EP-3900693-B1 USE OF A RESIN COMPOSITION KURARAY NORITAKE DENTAL INC (JP) 2024-03-20 EP disclosed
US-20220041777-A1 RESIN COMPOSITION FOR OPTICAL SHAPING KURARAY NORITAKE DENTAL INC. (JP) 2022-02-10 US disclosed
EP-3900693-A1 RESIN COMPOSITION FOR OPTICAL MOLDING Kuraray Noritake Dental Inc. (JP) 2021-10-27 EP disclosed
CN-113226247-A Resin composition for stereolithography 可乐丽则武齿科株式会社 2021-08-06 CN disclosed
WO-2020129736-A1 RESIN COMPOSITION FOR OPTICAL MOLDING クラレノリタケデンタル株式会社 2020-06-25 WO disclosed