SCHEMBL24258468

SCHEMBL24258468

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NLRP3 Q96P20 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPK14 Q16539 5/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
EGFR P00533 2/20 0.33
KDR P35968 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 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
SCHEMBL21583697 0.92 LMNA (0.42) ALDH1A1LMNAMAPK1MAPTMEN1
SCHEMBL20444008 0.84 LMNA (0.37) ALDH1A1LMNAMAPK1MAPTMEN1
SCHEMBL24258474 0.81 ALDH1A1 (0.45) ALDH1A1LMNAMAPK1MAPTMEN1
SCHEMBL24258471 0.79 LMNA (0.39) ALDH1A1LMNAMAPK1MEN1KMT2A
SCHEMBL24258463 0.76 ALDH1A1 (0.36) ALDH1A1LMNAMAPK1MAPTMEN1
SCHEMBL20407917 0.75 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1MAPTMEN1
SCHEMBL11839736 0.75 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1MAPTMEN1
SCHEMBL24258462 0.75 LMNA (0.42) ALDH1A1LMNAMAPK1MAPTMEN1
SCHEMBL20407983 0.69 ALDH1A1 (0.37) ALDH1A1LMNAMAPK1NLRP3KDM4E
SCHEMBL24258464 0.69 SMN1; SMN2 (0.43) ALDH1A1LMNAMAPK1MAPTKDM4E

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