SCHEMBL23677903

SCHEMBL23677903

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ HDAC9 Q9UKV0 1/20 0.49
▸ HDAC5 Q9UQL6 1/20 0.49
▸ IDO1 P14902 2/20 0.49
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.44
▸ SCN9A Q15858 1/20 0.44
▸ TACR1 P25103 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL18407272 1.00 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18395551 0.92 IDO1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18407270 0.91 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23677834 0.91 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23677871 0.90 MMP9 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18407263 0.90 MMP9 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18396391 0.89 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23677913 0.89 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18407262 0.89 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24445140 0.89 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2

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-3613420-B1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN LUMOS PHARMA INC (US) 2022-05-25 — — EP disclosed
EP-3324958-B1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN LUMOS PHARMA INC (US) 2021-07-28 — — EP disclosed
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