SCHEMBL9508218

SCHEMBL9508218

CCCCCCCCC=Cc1ccc(C(=O)N(CC)OCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 1/20 0.44
KCNH2 Q12809 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
PPARA Q07869 1/20 0.35
FAAH O00519 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
DUSP3 P51452 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
SCHEMBL9508213 1.00 TNNC1 (0.44) TNNC1KCNH2ABCG2PPARAFAAH
SCHEMBL9504802 0.91 TNNC1 (0.44) TNNC1ABCG2
SCHEMBL9506051 0.89 TNNC1 (0.45) TNNC1KCNH2ABCG2CNR1CNR2
SCHEMBL9506054 0.89 TNNC1 (0.45) TNNC1KCNH2ABCG2CNR1CNR2
SCHEMBL9506854 0.86 TNNC1 (0.42) TNNC1PPARAFAAHCNR1CNR2
SCHEMBL9506847 0.86 TNNC1 (0.42) TNNC1PPARAFAAHCNR1CNR2
SCHEMBL9504608 0.83 TNNC1 (0.43) TNNC1ABCG2
SCHEMBL9504730 0.83 TNNC1 (0.43) TNNC1KCNH2ABCG2
SCHEMBL9504725 0.83 TNNC1 (0.43) TNNC1KCNH2ABCG2
SCHEMBL9508810 0.81 TNNC1 (0.47) TNNC1ABCG2CNR1CNR2

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