SCHEMBL22129609

SCHEMBL22129609

C=COC(=O)CC(=O)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 5/20 0.53
PLOD3 O60568 4/20 0.53
PLOD1 Q02809 4/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
HIF1A Q16665 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 3/20 0.43
MPO P05164 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CYP2A6 P11509 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
SNCA P37840 1/20 0.41
GAA P10253 2/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL23926914 0.85 ALDH1A1 (0.43) PLOD2PLOD3PLOD1ALDH1A1CYP1A2
SCHEMBL23926882 0.82 PLOD2 (0.41) PLOD2PLOD3PLOD1ALDH1A1CYP1A2
SCHEMBL22129598 0.81 PLOD2 (0.59) PLOD2PLOD3PLOD1ALDH1A1CYP2C19
SCHEMBL1919299 0.78 PLOD2 (0.60) PLOD2PLOD3PLOD1ALDH1A1CYP1A2
SCHEMBL10948430 0.77 PLOD2 (0.83) PLOD2PLOD3PLOD1ALDH1A1CYP1A2
SCHEMBL2533558 0.76 HSD17B10 (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL27694664 0.74 GSK3B (0.53) ALDH1A1KDM4ECA1LMNAMEN1
SCHEMBL315471 0.74 ALDH1A1 (0.55) PLOD2PLOD3PLOD1ALDH1A1CYP1A2
SCHEMBL5176902 0.72 PLOD2 (0.53) PLOD2PLOD3PLOD1ALDH1A1CYP1A2
SCHEMBL2587127 0.72 ALDH1A1 (0.53) PLOD2PLOD3PLOD1ALDH1A1CYP1A2

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