SCHEMBL29293404

SCHEMBL29293404

CC[C@@]1(OC(=O)OCc2ccc(NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCOC(C)CCn3cc(CNC(=O)c4coc(-c5cnc(S(C)(=O)=O)nc5)n4)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 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.34
▸ HDAC6 Q9UBN7 14/20 0.33
▸ HDAC8 Q9BY41 6/20 0.33
▸ HDAC3 O15379 13/20 0.33
▸ HDAC1 Q13547 13/20 0.33
▸ HDAC4 P56524 5/20 0.33
▸ HDAC7 Q8WUI4 5/20 0.33
▸ HDAC2 Q92769 5/20 0.33
▸ HDAC10 Q969S8 5/20 0.33
▸ HDAC11 Q96DB2 5/20 0.33
▸ HDAC9 Q9UKV0 5/20 0.33
▸ HDAC5 Q9UQL6 5/20 0.33
▸ ERBB2 P04626 1/20 0.31
▸ TOP1 P11387 1/20 0.31
▸ ITGB3 P05106 1/20 0.31
▸ ITGAV P06756 1/20 0.31
▸ ITGB5 P18084 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL23193189 0.97 ELANE (0.34) ELANEHDAC6HDAC8HDAC3HDAC1
SCHEMBL23193057 0.92 ELANE (0.35) ELANEHDAC6HDAC8HDAC3HDAC1
SCHEMBL21138197 0.91 ELANE (0.37) ELANEHDAC6HDAC8HDAC3HDAC1
SCHEMBL26784120 0.88 ELANE (0.36) ELANEHDAC6HDAC3HDAC1ERBB2
SCHEMBL31682827 0.87 ELANE (0.36) ELANEHDAC6HDAC8HDAC3HDAC1
SCHEMBL22618829 0.87 ELANE (0.35) ELANEHDAC6HDAC8HDAC3HDAC1
SCHEMBL21137534 0.87 HDAC6 (0.33) ELANEHDAC6HDAC8HDAC3HDAC1
SCHEMBL21137596 0.84 ELANE (0.34) ELANEHDAC6HDAC8HDAC3HDAC1
SCHEMBL21137619 0.84 ELANE (0.39) ELANEHDAC6HDAC3HDAC1HDAC2
SCHEMBL22618756 0.84 ELANE (0.39) ELANEHDAC6HDAC3HDAC1HDAC2

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-4397319-A1 METHOD FOR IMPROVING QUALITY OF ANTIBODY-DRUG CONJUGATE PRODUCT Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2024-07-10 — — EP disclosed
Send feedback