SCHEMBL21583697

SCHEMBL21583697

CCOC(=O)C(C(=O)Nc1cc(NC(=O)OCC(C)OC(C)(C)CC(C)OC(C)(C)CC(C)OC(=O)Nc2ccc(C)c(NC(=O)C(C(=O)OCC)C(=O)OCC)c2)ccc1C)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
NLRP3 Q96P20 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK14 Q16539 6/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
HSD17B10 Q99714 1/20 0.35
EGFR P00533 2/20 0.35
KDR P35968 2/20 0.35

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
SCHEMBL20444008 0.92 LMNA (0.37) LMNAALDH1A1MAPK1NLRP3MEN1
SCHEMBL24258468 0.92 ALDH1A1 (0.43) LMNAALDH1A1MAPK1NLRP3MEN1
SCHEMBL20444007 0.78 SMN1; SMN2 (0.38) LMNAALDH1A1MAPK1MEN1MAPT
SCHEMBL24258464 0.78 SMN1; SMN2 (0.43) LMNAALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL20407917 0.74 ALDH1A1 (0.47) LMNAALDH1A1MAPK1NLRP3MEN1
SCHEMBL11839736 0.74 ALDH1A1 (0.49) LMNAALDH1A1MAPK1NLRP3MEN1
SCHEMBL24258474 0.74 ALDH1A1 (0.45) LMNAALDH1A1MAPK1NLRP3MEN1
SCHEMBL13104588 0.72 MAPT (0.48) LMNAALDH1A1MAPK1MEN1MAPT
SCHEMBL12537832 0.72 LMNA (0.62) LMNAALDH1A1MAPK1NLRP3SMN1; SMN2
SCHEMBL24258471 0.71 LMNA (0.39) LMNAALDH1A1MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3574046-B1 FLUID SET COMPRISING A PRE-TREATMENT LIQUID AND AN INKJET INK AGFA NV (BE) 2023-09-27 EP disclosed
US-10941309-B2 Fluid set comprising a pre-treatment liquid and an inkjet ink AGFA NV (BE) 2021-03-09 US disclosed
US-20190367760-A1 FLUID SET COMPRISING A PRE-TREATMENT LIQUID AND AN INKJET INK AGFA NV (BE) 2019-12-05 US disclosed