SCHEMBL22129582

SCHEMBL22129582

C=COC(=O)CCC(=O)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
CTNNB1 P35222 1/20 0.48
WNT3A P56704 1/20 0.48
PLOD3 O60568 1/20 0.46
PLOD1 Q02809 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
APP P05067 1/20 0.45
HCAR3 P49019 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
SARM1 Q6SZW1 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44

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
SCHEMBL23926888 0.92 HDAC1 (0.53) PLOD2HDAC1HDAC8CTNNB1WNT3A
SCHEMBL22129598 0.87 PLOD2 (0.59) PLOD2HDAC1HDAC8PLOD3PLOD1
SCHEMBL7075878 0.82 PLOD2 (0.69) PLOD2HDAC1HDAC8CTNNB1WNT3A
SCHEMBL23926914 0.81 ALDH1A1 (0.43) PLOD2CTNNB1WNT3APLOD3PLOD1
SCHEMBL6863607 0.80 ALDH1A1 (0.60) PLOD2HDAC1HDAC8CTNNB1WNT3A
SCHEMBL30109394 0.80 ALDH1A1 (0.60) PLOD2HDAC1HDAC8CTNNB1WNT3A
SCHEMBL22978690 0.78 PLOD2 (0.56) PLOD2HDAC1HDAC8CTNNB1WNT3A
SCHEMBL2531432 0.78 ALDH1A1 (0.61) HDAC1ALDH1A1GAAAPPHCAR3
SCHEMBL6158655 0.78 TBXAS1 (0.58) PLOD2HDAC1HDAC8CTNNB1WNT3A
SCHEMBL9199313 0.77 PLOD2 (0.79) PLOD2HDAC1HDAC8CTNNB1WNT3A

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 5 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
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