SCHEMBL26527792

SCHEMBL26527792

CC(C)C(NC(=O)CCCC#Cc1cnc([S+](C)[O-])nc1)C(=O)NCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 4/20 0.33
▸ MMP2 P08253 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ EGLN3 Q9H6Z9 1/20 0.33

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
SCHEMBL26528447 0.85 MMP2 (0.36) EGLN1MMP2HDAC3HDAC4HDAC1
SCHEMBL24642668 0.77 NMT1 (0.41) —
SCHEMBL26167073 0.75 CYP1A2 (0.31) —
SCHEMBL24642427 0.74 HDAC1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24642617 0.74 SIRT2 (0.36) EGLN1EGLN3
SCHEMBL24642387 0.74 NMT2 (0.33) EGLN1EGLN3
SCHEMBL26543467 0.74 PROC (0.32) EGLN1EGLN3
SCHEMBL31575300 0.73 NMT2 (0.36) EGLN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL25363093 0.73 MMP2 (0.43) MMP2
SCHEMBL26530456 0.72 HDAC3 (0.33) 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 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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