SCHEMBL26528447

SCHEMBL26528447

CC(C)C(NC(=O)CCCC#Cc1cnc(S(C)(=O)=O)nc1)C(=O)NCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.36
▸ EGLN1 Q9GZT9 9/20 0.34
▸ HDAC3 O15379 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ EGLN3 Q9H6Z9 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL25363093 0.89 MMP2 (0.43) MMP2
SCHEMBL31575300 0.88 NMT2 (0.36) EGLN1HDAC3HDAC1HDAC6EGLN3
SCHEMBL26527792 0.85 EGLN1 (0.33) MMP2EGLN1HDAC3HDAC1HDAC6
SCHEMBL30107915 0.83 ACACB (0.34) MMP2HDAC3HDAC1HDAC6HDAC4
SCHEMBL31217911 0.83 MMP2 (0.31) MMP2
SCHEMBL24642833 0.81 MMP2 (0.33) MMP2
SCHEMBL27183500 0.80 HDAC3 (0.32) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL23193046 0.80 MAPT (0.41) —
SCHEMBL26755869 0.80 NMT2 (0.34) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL26758333 0.80 NMT2 (0.34) HDAC3HDAC1HDAC6HDAC4HDAC7

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
EP-4257154-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Medilink Therapeutics (Suzhou) Co., Ltd. (CN) 2023-10-11 — — EP disclosed
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