SCHEMBL24258462

SCHEMBL24258462

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 8/20 0.41
NPC1 O15118 7/20 0.41
HPGD P15428 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NLRP3 Q96P20 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MAPK14 Q16539 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 2/20 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
SCHEMBL20407983 0.91 ALDH1A1 (0.37) LMNAALDH1A1MAPK1RAB9ANPC1
SCHEMBL24258474 0.87 ALDH1A1 (0.45) LMNAALDH1A1MAPK1RAB9ANPC1
SCHEMBL20407984 0.76 RAB9A (0.42) LMNAALDH1A1MAPK1RAB9ANPC1
SCHEMBL24258468 0.75 ALDH1A1 (0.43) LMNAALDH1A1MAPK1RAB9ANPC1
SCHEMBL19001405 0.74 ALDH1A1 (0.41) LMNAALDH1A1MAPK1RAB9ANPC1
SCHEMBL20407917 0.73 ALDH1A1 (0.47) LMNAALDH1A1MAPK1RAB9ANPC1
SCHEMBL23351302 0.73 LMNA (0.47) LMNAALDH1A1MAPK1RAB9ANPC1
SCHEMBL24258466 0.73 ACHE (0.43)
SCHEMBL24258473 0.72 L3MBTL1 (0.35) LMNAALDH1A1MAPK1RAB9ANPC1
SCHEMBL1023753 0.71 RAB9A (0.67) LMNAALDH1A1MAPK1RAB9ANPC1

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