SCHEMBL9504608

SCHEMBL9504608

CCCCCCCCC=Cc1ccc(C(=O)N(CCC)OCCCCCC)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 1/20 0.43
BCHE P06276 6/20 0.39
ACHE P22303 5/20 0.39
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL9504802 0.92 TNNC1 (0.44) TNNC1BCHEACHETP53TSHR
SCHEMBL9504725 0.91 TNNC1 (0.43) TNNC1BCHEACHETHRATHRB
SCHEMBL9504730 0.91 TNNC1 (0.43) TNNC1BCHEACHETHRATHRB
SCHEMBL9508227 0.90 PPARG (0.43) TSHR
SCHEMBL9508230 0.90 PPARG (0.43) TSHR
SCHEMBL9508213 0.83 TNNC1 (0.44) TNNC1ABCG2
SCHEMBL9508218 0.83 TNNC1 (0.44) TNNC1ABCG2
SCHEMBL9506054 0.81 TNNC1 (0.45) TNNC1ABCG2
SCHEMBL9506051 0.81 TNNC1 (0.45) TNNC1ABCG2
SCHEMBL9508810 0.79 TNNC1 (0.47) TNNC1ABCG2

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