SCHEMBL23926882

SCHEMBL23926882

C=COC(=O)CCCC(=O)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.41
PLOD3 O60568 2/20 0.41
PLOD1 Q02809 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
HIF1A Q16665 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.39
SNCA P37840 1/20 0.38
MMP1 P03956 1/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
HRH2 P25021 1/20 0.38

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 0.90 ALDH1A1 (0.43) PLOD2PLOD3PLOD1CYP1A2CYP3A4
SCHEMBL4899375 0.84 TDP1 (0.56) CYP1A2CYP3A4CYP2C19ALDH1A1HPGD
SCHEMBL23926888 0.82 HDAC1 (0.53) PLOD2PLOD3PLOD1ALDH1A1L3MBTL1
SCHEMBL22129609 0.82 PLOD2 (0.53) PLOD2PLOD3PLOD1CYP1A2CYP3A4
SCHEMBL4898873 0.81 KMT2A (0.49) ALDH1A1NPC1RAB9AL3MBTL1CTNNB1
SCHEMBL13762690 0.77 NPC1 (0.41) PLOD2PLOD3PLOD1CYP1A2CYP3A4
SCHEMBL177731 0.75 TSHR (0.43) CYP1A2CYP3A4ALDH1A1SMN1; SMN2LMNA
SCHEMBL12600012 0.74 CYP1A2 (0.50) PLOD2PLOD3PLOD1CYP1A2CYP3A4
SCHEMBL5850399 0.74 HDAC3 (0.60) PLOD2PLOD3PLOD1CYP1A2CYP3A4
SCHEMBL15988710 0.73 CYP2C19 (0.61) PLOD2PLOD3PLOD1CYP1A2CYP3A4

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 4 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