SCHEMBL29293293

SCHEMBL29293293

CC[C@@]1(OC(=O)OCc2ccc(NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCOCCNC(=O)CCCC#Cc3cnc(S(C)(=O)=O)nc3)cc2)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCN(C(C)C)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.38
▸ HDAC1 Q13547 9/20 0.37
▸ HDAC6 Q9UBN7 9/20 0.37
▸ HDAC3 O15379 8/20 0.37
▸ TOP1 P11387 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ITGB3 P05106 3/20 0.34
▸ ITGAV P06756 3/20 0.34
▸ ITGB5 P18084 3/20 0.34
▸ ERBB2 P04626 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
SCHEMBL26762430 0.96 ELANE (0.38) ELANEHDAC1HDAC6HDAC3TOP1
SCHEMBL31682827 0.94 ELANE (0.36) ELANEHDAC1HDAC6HDAC3ITGB3
SCHEMBL21137619 0.93 ELANE (0.39) ELANEHDAC1HDAC6HDAC3TOP1
SCHEMBL22618756 0.93 ELANE (0.39) ELANEHDAC1HDAC6HDAC3TOP1
SCHEMBL23193185 0.92 HDAC1 (0.37) ELANEHDAC1HDAC6HDAC3TOP1
SCHEMBL21137833 0.92 ELANE (0.42) ELANEHDAC1HDAC6HDAC3TOP1
SCHEMBL22618831 0.92 ELANE (0.38) ELANEHDAC1HDAC6HDAC3TOP1
SCHEMBL22618828 0.92 ELANE (0.39) ELANEHDAC1HDAC6HDAC3TOP1
SCHEMBL21137580 0.89 ELANE (0.38) ELANEHDAC1HDAC6HDAC3TOP1
SCHEMBL27410362 0.89 HDAC6 (0.34) ELANEHDAC1HDAC6HDAC3ITGB3

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
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