SCHEMBL30701590

SCHEMBL30701590

CC(C)(C)c1cccc2s[nH]c(=O)c12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ DDAH1 O94760 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ CACNA1B Q00975 1/20 0.48
▸ APBA1 Q02410 1/20 0.48
▸ CA2 P00918 1/20 0.36
▸ POLB P06746 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL725796 0.76 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL10587136 0.73 MAPT (0.46) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL2970289 0.72 MAPT (0.48) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL8596062 0.72 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL11213296 0.72 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL1710671 0.72 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL10843641 0.71 MAOA (0.54) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL24816435 0.70 CA2 (0.46) ALDH1A1CA2GABRA1GABRB2KIF11
SCHEMBL11570093 0.69 ALDH1A1 (0.42) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL10980881 0.68 PARP1 (0.49) ALDH1A1LMNAMAPTKDM4EDDAH1

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-4547766-A1 COPPER CONTAINING COMPOUNDS AND COMPOSITIONS FOR ANTIMICROBIAL PAINT AND COATING Arxada, LLC (US) 2025-05-07 — — EP disclosed
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