SCHEMBL8435134

SCHEMBL8435134

NC(N)CCC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MAPK1 P28482 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
SLC15A1 P46059 2/20 0.50
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
LMNA P02545 2/20 0.48
CDC25B P30305 1/20 0.48
MEN1 O00255 2/20 0.46
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 1/20 0.46
HCAR2 Q8TDS4 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
SCHEMBL22273540 0.90 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL627617 0.88 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL28156051 0.88 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL27537171 0.87 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL5240921 0.87 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL24235719 0.87 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL16330134 0.87 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL22607077 0.87 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL4850398 0.87 SLC15A1 (0.55) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL124384 0.87 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A

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
CN-115992103-A Enzyme mutant and preparation method of snake venom tripeptide 深圳瑞德林生物技术有限公司 2023-04-21 CN disclosed
WO-2020099596-A1 NOVEL PATHWAY FOR THE SYNTHESIS OF DIAZIRINES, THAT MAY OR MAY NOT BE ENRICHED IN NITROGEN-15 UNIVERSITE DE ROUEN NORMANDIE (FR) 2020-05-22 WO disclosed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP disclosed
EP-0876388-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1998-11-11 EP disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO disclosed
WO-1997017356-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-05-15 WO disclosed