SCHEMBL29565142

SCHEMBL29565142

CCCCCCCCOC(=O)CCc1cc(CCCC)c(O)c(-c2cccc3[nH]nnc23)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.37
P2RY10 O00398 4/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 1/20 0.34
EPHX2 P34913 3/20 0.34
CNR2 P34972 2/20 0.34
GPR174 Q9BXC1 3/20 0.33
GPR34 Q9UPC5 1/20 0.33
LMNA P02545 1/20 0.33
MMP2 P08253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6278572 0.89 ALDH1A1 (0.38) ALDH1A1KDM4EP2RY10HSD17B10MEN1
SCHEMBL8446117 0.80 LPL (0.36) ALDH1A1KDM4EHSD17B10CNR2LMNA
SCHEMBL5084394 0.80 PDE1A (0.34) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL10385181 0.78 TLR8 (0.31)
SCHEMBL14244988 0.77 DGKA (0.50) CNR2
SCHEMBL1066945 0.77 DGKA (0.50) CNR2
SCHEMBL14244745 0.77 DGKA (0.50) CNR2
SCHEMBL14245258 0.77 DGKA (0.50) CNR2
SCHEMBL2488006 0.77 APP (0.39) ALDH1A1KDM4EP2RY10MEN1KMT2A
SCHEMBL5814959 0.77 ELANE (0.36) ALDH1A1KDM4EHSD17B10MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232276-A1 LASER ENGRAVABLE LABELS Röhm GmbH (DE) 2023-08-30 EP disclosed
WO-2022090048-A1 LASER ENGRAVABLE LABELS RÖHM GMBH (DE) 2022-05-05 WO disclosed