SCHEMBL9504730

SCHEMBL9504730

CCCCCCCCC=Cc1ccc(C(=O)N(CCCC)OCCC)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 1/20 0.43
BCHE P06276 4/20 0.39
ACHE P22303 2/20 0.39
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
KCNH2 Q12809 1/20 0.36
ASAH2 Q9NR71 1/20 0.35

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
SCHEMBL9504725 1.00 TNNC1 (0.43) TNNC1BCHEACHETHRATHRB
SCHEMBL9504608 0.91 TNNC1 (0.43) TNNC1BCHEACHETHRATHRB
SCHEMBL9508227 0.88 PPARG (0.43) KCNH2
SCHEMBL9508230 0.88 PPARG (0.43) KCNH2
SCHEMBL9504802 0.87 TNNC1 (0.44) TNNC1BCHEACHEABCG2
SCHEMBL9508213 0.83 TNNC1 (0.44) TNNC1ABCG2KCNH2
SCHEMBL9508218 0.83 TNNC1 (0.44) TNNC1ABCG2KCNH2
SCHEMBL9506054 0.81 TNNC1 (0.45) TNNC1ABCG2KCNH2
SCHEMBL9506051 0.81 TNNC1 (0.45) TNNC1ABCG2KCNH2
SCHEMBL11023802 0.81 PPARG (0.41) KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
CN-85104470-A The method for preparing arythydroxamtes 1986-10-01 CN disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed