SCHEMBL21261497

SCHEMBL21261497

CC[C@H](C)[C@H](NC(=O)[C@@H](C)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 2/20 0.40
▸ F2 P00734 2/20 0.39
▸ CPB2 Q96IY4 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PSEN1 P49768 2/20 0.38
▸ PSEN2 P49810 2/20 0.38
▸ APH1B Q8WW43 2/20 0.38
▸ NCSTN Q92542 2/20 0.38
▸ APH1A Q96BI3 2/20 0.38
▸ PSENEN Q9NZ42 2/20 0.38
▸ F2RL1 P55085 1/20 0.38
▸ NMT2 O60551 1/20 0.37
▸ NMT1 P30419 1/20 0.37

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
SCHEMBL21261733 0.92 FURIN (0.40) FURINF2PRSS1PSEN1PSEN2
SCHEMBL28539679 0.85 FURIN (0.41) FURINPRSS1
SCHEMBL28539678 0.85 FURIN (0.41) FURINPRSS1
SCHEMBL28220324 0.85 NMT2 (0.45) FURINPRSS1NMT2NMT1
SCHEMBL32679433 0.84 DPP8 (0.41) —
SCHEMBL30902091 0.84 NMT2 (0.42) FURINPRSS1NMT2NMT1
SCHEMBL30456526 0.81 FURIN (0.46) FURINPRSS1PSEN1PSEN2APH1B
SCHEMBL28545639 0.80 RXFP1 (0.40) FURIN
SCHEMBL28545636 0.80 RXFP1 (0.40) FURIN
SCHEMBL9402088 0.80 RXFP1 (0.45) —

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-2019104851-A4 BETA-HYDROXYBUTYRYL-AMINO ACID COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 刘成 2019-08-15 — — WO disclosed
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