SCHEMBL30381886

SCHEMBL30381886

CN[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ EPHX1 P07099 1/20 0.50
▸ CCKAR P32238 3/20 0.47
▸ CCKBR P32239 3/20 0.47
▸ OPRD1 P41143 3/20 0.47
▸ PDE10A Q9Y233 1/20 0.46
▸ ACHE P22303 1/20 0.44
▸ HTR6 P50406 1/20 0.43
▸ TACR1 P25103 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RECQL P46063 1/20 0.40

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
SCHEMBL25991604 1.00 ADAM17 (0.60) ADAM17L3MBTL1EPHX1CCKARCCKBR
SCHEMBL30279235 1.00 ADAM17 (0.60) ADAM17L3MBTL1EPHX1CCKARCCKBR
SCHEMBL20280505 0.91 L3MBTL1 (0.60) ADAM17L3MBTL1EPHX1CCKARCCKBR
SCHEMBL29401255 0.89 ADAM17 (0.58) ADAM17L3MBTL1EPHX1CCKARCCKBR
SCHEMBL22804050 0.89 ADAM17 (0.58) ADAM17L3MBTL1EPHX1CCKARCCKBR
SCHEMBL19206913 0.89 L3MBTL1 (0.58) ADAM17L3MBTL1EPHX1CCKARCCKBR
SCHEMBL29401320 0.89 ADAM17 (0.58) ADAM17L3MBTL1EPHX1CCKARCCKBR
SCHEMBL29400491 0.89 ADAM17 (0.58) ADAM17L3MBTL1EPHX1CCKARCCKBR
SCHEMBL10310207 0.89 ADAM17 (0.58) ADAM17L3MBTL1EPHX1CCKARCCKBR
SCHEMBL4294679 0.89 ADAM17 (0.58) ADAM17L3MBTL1EPHX1CCKARCCKBR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4419124-A2 MENAQUINONE-BINDING COMPOUNDS AND METHODS OF USE THEREOF The Rockefeller University (US) 2024-08-28 — — EP disclosed
WO-2023070085-A2 MENAQUINONE-BINDING COMPOUNDS AND METHODS OF USE THEREOF THE ROCKEFELLER UNIVERSITY (US) 2023-04-27 — — WO disclosed
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