SCHEMBL1406699

SCHEMBL1406699

CCOC(=O)CCCC(C(C)=O)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
NR1I2 O75469 1/20 0.43
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
PTGS2 P35354 1/20 0.43
PDE4D Q08499 1/20 0.43
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL22587290 0.92 CYP1A2 (0.50) CYP1A2KMT2APOLBL3MBTL1NR1I2
SCHEMBL28022588 0.92 CYP1A2 (0.50) CYP1A2KMT2APOLBL3MBTL1NR1I2
SCHEMBL3826148 0.92 CYP1A2 (0.50) CYP1A2KMT2APOLBNR1I2PGR
SCHEMBL3819477 0.92 CYP1A2 (0.50) CYP1A2KMT2APOLBNR1I2PGR
SCHEMBL18770547 0.89 CYP1A2 (0.47) CYP1A2KMT2APOLBL3MBTL1NR1I2
SCHEMBL1406208 0.88 L3MBTL1 (0.50) CYP1A2KMT2APOLBL3MBTL1NR1I2
SCHEMBL7073725 0.86 CYP1A2 (0.55) CYP1A2KMT2APOLBL3MBTL1NR1I2
SCHEMBL11528078 0.86 CYP1A2 (0.55) CYP1A2KMT2APOLBL3MBTL1NR1I2
SCHEMBL11614940 0.85 KMT2A (0.50) CYP1A2KMT2APOLBL3MBTL1GAA
SCHEMBL4800391 0.85 KMT2A (0.50) CYP1A2KMT2APOLBL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116356085-B Aliphatic synthetic tanning agent containing hexabasic carbonyl and preparation method and application thereof 南京工业大学 2024-08-16 CN disclosed
CN-116334320-B Aliphatic synthetic tanning agent containing multifunctional groups and preparation method and application thereof 南京工业大学 2024-02-13 CN disclosed
CN-116356085-A Aliphatic synthetic tanning agent containing hexabasic carbonyl and preparation method and application thereof 南京工业大学 2023-06-30 CN disclosed
CN-116334320-A Aliphatic synthetic tanning agent containing multifunctional groups and preparation method and application thereof 南京工业大学 2023-06-27 CN disclosed
EP-1490412-B1 PHOTOINITIATOR, NOVEL COMPOUND, AND PHOTOCURABLE COMPOSITION DAINIPPON INK & CHEMICALS (JP) 2011-03-09 EP disclosed
US-7166648-B2 Photoinitiator, novel compound, and photocurable composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-01-23 US disclosed
US-20050256218-A1 Photoinitiator, novel compound, and photocurable composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-11-17 US disclosed
EP-1490412-A1 PHOTOINITIATOR, NOVEL COMPOUND, AND PHOTOCURABLE COMPOSITION DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-12-29 EP disclosed
WO-2003082929-A1 PHOTOINITIATOR, NOVEL COMPOUND, AND PHOTOCURABLE COMPOSITION DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-10-09 WO disclosed