SCHEMBL24916780

SCHEMBL24916780

C#CCCCO[C@H]1O[C@@H](COC(C)=O)CC[C@@H]1NC(C)=O

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30

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
SCHEMBL24916779 0.83 MEN1 (0.32) MAPK1MEN1USP2ALDH1A1TP53
SCHEMBL16392963 0.82 MAPK1 (0.33) MAPK1ALDH1A1
SCHEMBL16392970 0.76 HPSE (0.31) MAPK1
SCHEMBL31572584 0.75 ALDH1A1 (0.33) MAPK1MEN1USP2ALDH1A1TP53
SCHEMBL30146579 0.74 BDNF (0.32) CYP3A4MAPT
SCHEMBL25438617 0.73 MAPK1 (0.55) MAPK1MEN1ALDH1A1CYP3A4MAPT
SCHEMBL24916781 0.72 MAPK1 (0.45) MAPK1MEN1ALDH1A1KMT2AMAOA
SCHEMBL25985468 0.72 CYP3A4 (0.56) MAPK1ALDH1A1CYP3A4MAPTKMT2A
SCHEMBL30565854 0.72 PDK1 (0.33) ALDH1A1KMT2A
SCHEMBL29690642 0.72 PDK1 (0.33) ALDH1A1KMT2A

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-2023288033-A1 ASGPR CELL SURFACE RECEPTOR BINDING COMPOUNDS AND CONJUGATES LYCIA THERAPEUTICS, INC. (US) 2023-01-19 — — WO disclosed
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