SCHEMBL9546619

SCHEMBL9546619

CC(C)[C@H](NC(=O)[C@@H](Cc1ccccc1)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1CCC(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
CCR1 P32246 2/20 0.43
MAPK1 P28482 4/20 0.41
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
CMA1 P23946 1/20 0.40
NTSR1 P30989 1/20 0.40
KLK5 Q9Y337 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
DPP4 P27487 1/20 0.39
KCNH2 Q12809 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39

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
SCHEMBL9546629 1.00 KMT2A (0.45) KMT2ACCR1MAPK1MAPTNPSR1
SCHEMBL9546638 1.00 KMT2A (0.45) KMT2ACCR1MAPK1MAPTNPSR1
SCHEMBL9546627 0.91 KMT2A (0.44) KMT2ACCR1MAPK1MAPTCMA1
SCHEMBL9546646 0.91 KMT2A (0.44) KMT2ACCR1MAPK1MAPTCMA1
SCHEMBL9546535 0.89 KMT2A (0.43) KMT2ACCR1MAPK1CMA1KLK5
SCHEMBL9546541 0.89 KMT2A (0.43) KMT2ACCR1MAPK1CMA1KLK5
SCHEMBL9546544 0.88 PSEN1 (0.51) KMT2ACCR1MAPK1CMA1KLK5
SCHEMBL9546553 0.88 PSEN1 (0.51) KMT2ACCR1MAPK1CMA1KLK5
SCHEMBL9546533 0.88 PSEN1 (0.51) KMT2ACCR1MAPK1CMA1KLK5
SCHEMBL9546539 0.88 PSEN1 (0.51) KMT2ACCR1MAPK1CMA1KLK5

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
WO-1993023373-A1 N-[N'-(5-AMINO-4-HYDROXY-ACYLOYL)-α-AMINOACYLOYL] SUBSTITUTED HETEROCYCLES AND THEIR USE AS ANTIVIRAL AGENTS PFIZER LIMITED (GB) 1993-11-25 WO disclosed