SCHEMBL24258463

SCHEMBL24258463

Cc1ccc(NC(=O)OC(C)CC(C)(C)OC(C)CC(C)(C)OC(=O)Nc2ccc(C)c(NC(=O)N3CCCCCC3=O)c2)cc1NC(=O)N1CCCCCC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
NR1I3 Q14994 2/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 4/20 0.34
MAPK14 Q16539 1/20 0.33
NPC1 O15118 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MITF O75030 1/20 0.32
HTT P42858 1/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL24258471 0.78 LMNA (0.39) ALDH1A1LMNAMAPK1RAB9AMAPK14
SCHEMBL15386823 0.77 ITGB1 (0.54) ALDH1A1LMNAITGB1ITGA4TP53
SCHEMBL24258468 0.76 ALDH1A1 (0.43) ALDH1A1LMNAMAPK1RAB9AMAPK14
SCHEMBL24200395 0.71 RAB9A (0.50) ALDH1A1LMNAITGB1ITGA4TP53
SCHEMBL11839736 0.70 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1RAB9AMAPK14
SCHEMBL21583697 0.69 LMNA (0.42) ALDH1A1LMNAMAPK1RAB9AMAPK14
SCHEMBL13040541 0.66 KMT2A (0.50) ALDH1A1LMNAITGB1ITGA4TP53
SCHEMBL17086954 0.66 RAB9A (0.48) ALDH1A1LMNAMAPK1NR1I3TP53
SCHEMBL800835 0.65 ITGB1 (0.49) ITGB1ITGA4TP53RAB9ANPC1
SCHEMBL17342577 0.64 MAPT (0.43) ALDH1A1LMNARAB9ANPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254831-B2 Encapsulated oligomeric blocked isocyanates AGFA NV (BE) 2022-02-22 US disclosed