SCHEMBL9546535

SCHEMBL9546535

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(N(C)C(=O)OCc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
CCR1 P32246 1/20 0.40
MAPK1 P28482 1/20 0.40
PSEN1 P49768 5/20 0.39
PSEN2 P49810 5/20 0.39
APH1B Q8WW43 5/20 0.39
NCSTN Q92542 5/20 0.39
APH1A Q96BI3 5/20 0.39
PSENEN Q9NZ42 5/20 0.39
APP P05067 1/20 0.39
CMA1 P23946 3/20 0.39
KLK5 Q9Y337 1/20 0.39
MEN1 O00255 1/20 0.38
CTSL P07711 1/20 0.37
REN P00797 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL9546541 1.00 KMT2A (0.43) KMT2ACCR1MAPK1PSEN1PSEN2
SCHEMBL9546594 0.95 CCR1 (0.41) KMT2ACCR1MAPK1PSEN1PSEN2
SCHEMBL9546602 0.95 CCR1 (0.41) KMT2ACCR1MAPK1PSEN1PSEN2
SCHEMBL9546612 0.95 CCR1 (0.41) KMT2ACCR1MAPK1PSEN1PSEN2
SCHEMBL9546791 0.94 P2RX7 (0.41) KMT2ACCR1MAPK1PSEN1PSEN2
SCHEMBL9546796 0.94 P2RX7 (0.41) KMT2ACCR1MAPK1PSEN1PSEN2
SCHEMBL9546786 0.94 P2RX7 (0.41) KMT2ACCR1MAPK1PSEN1PSEN2
SCHEMBL9546845 0.92 KMT2A (0.43) KMT2ACCR1MAPK1PSEN1PSEN2
SCHEMBL9546847 0.92 KMT2A (0.43) KMT2ACCR1MAPK1PSEN1PSEN2
SCHEMBL9546842 0.92 KMT2A (0.43) KMT2ACCR1MAPK1PSEN1PSEN2

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