SCHEMBL27410362

SCHEMBL27410362

CC[C@@]1(OC(=O)OCc2ccc(NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCC(C)CCOC(C)(C)CCn3cc(CNC(=O)CCCC#Cc4cnc(S(C)(=O)=O)nc4)nn3)cc2)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCN(C(C)C)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 16/20 0.34
▸ HDAC8 Q9BY41 8/20 0.34
▸ HDAC3 O15379 15/20 0.33
▸ HDAC1 Q13547 15/20 0.33
▸ HDAC4 P56524 7/20 0.33
▸ HDAC7 Q8WUI4 7/20 0.33
▸ HDAC2 Q92769 7/20 0.33
▸ HDAC10 Q969S8 7/20 0.33
▸ HDAC11 Q96DB2 7/20 0.33
▸ HDAC9 Q9UKV0 7/20 0.33
▸ HDAC5 Q9UQL6 7/20 0.33
▸ ELANE P08246 1/20 0.32
▸ ERBB2 P04626 1/20 0.31
▸ ITGB3 P05106 1/20 0.30
▸ ITGAV P06756 1/20 0.30
▸ ITGB5 P18084 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
SCHEMBL31682827 0.93 ELANE (0.36) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL29293293 0.89 ELANE (0.38) HDAC6HDAC3HDAC1HDAC2HDAC10
SCHEMBL23193211 0.89 ELANE (0.34) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL21137600 0.89 HDAC6 (0.33) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL22561464 0.89 HDAC6 (0.34) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL31682882 0.87 ELANE (0.35) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL22618829 0.86 ELANE (0.35) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL21137534 0.86 HDAC6 (0.33) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL22561402 0.86 ELANE (0.35) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL26762430 0.85 ELANE (0.38) HDAC6HDAC3HDAC1HDAC2HDAC10

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-2024123914-A1 PROCESS FOR MAKING ANTIBODY-DRUG CONJUGATES MERCK SHARP & DOHME LLC (US) 2024-06-13 — — WO disclosed
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