SCHEMBL31515466

SCHEMBL31515466

COCC(NC(=O)OC(C)(C)C)C(=O)Nc1sc(C)c(C)c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.48
▸ PPARG P37231 3/20 0.48
▸ PPARA Q07869 3/20 0.48
▸ ALDH1A1 P00352 8/20 0.48
▸ MAPT P10636 7/20 0.48
▸ LMNA P02545 4/20 0.48
▸ HPGD P15428 6/20 0.43
▸ PLA2G1B P04054 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CNR2 P34972 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ XBP1 P17861 1/20 0.42

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
SCHEMBL31498653 0.91 BRD4 (0.49) BRD4PPARGPPARAALDH1A1MAPT
SCHEMBL23810503 0.86 ALDH1A1 (0.51) BRD4PPARGPPARAALDH1A1MAPT
SCHEMBL23348597 0.86 ALDH1A1 (0.51) BRD4PPARGPPARAALDH1A1MAPT
SCHEMBL30012539 0.83 BRD4 (0.49) BRD4PPARGPPARAALDH1A1MAPT
SCHEMBL31498738 0.80 ALDH1A1 (0.54) BRD4ALDH1A1MAPTLMNAHPGD
SCHEMBL872773 0.78 BRD4 (0.49) BRD4ALDH1A1MAPTLMNAHPGD
SCHEMBL872772 0.78 BRD4 (0.49) BRD4ALDH1A1MAPTLMNAHPGD
SCHEMBL2641803 0.76 BRD4 (0.41) BRD4ALDH1A1MAPTLMNAHPGD
SCHEMBL15106634 0.76 BRD4 (0.41) BRD4ALDH1A1MAPTLMNAHPGD
SCHEMBL15182047 0.76 BRD4 (0.41) BRD4ALDH1A1MAPTLMNAHPGD

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-2025085738-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2025-04-24 — — WO disclosed
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