SCHEMBL7175252

SCHEMBL7175252

CCCCCC=CCOc1cc[c]cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.40
CYSLTR1 Q9Y271 2/20 0.40
PPARA Q07869 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
FAAH O00519 2/20 0.36
CNR1 P21554 1/20 0.36
AOC3 Q16853 1/20 0.36

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
SCHEMBL7175249 1.00 CYSLTR2 (0.40) CYSLTR2CYSLTR1PPARATRPV1FAAH
SCHEMBL919978 0.95 AOC3 (0.37) CYSLTR2CYSLTR1PPARAAOC3
SCHEMBL919976 0.95 AOC3 (0.37) CYSLTR2CYSLTR1PPARAAOC3
SCHEMBL919311 0.88 AOC3 (0.39) CYSLTR2CYSLTR1AOC3
SCHEMBL919309 0.88 AOC3 (0.39) CYSLTR2CYSLTR1AOC3
SCHEMBL28918162 0.81 AOC3 (0.53) CYSLTR2CYSLTR1PPARATRPV1FAAH
SCHEMBL28154134 0.81 AOC3 (0.53) CYSLTR2CYSLTR1PPARATRPV1FAAH
SCHEMBL24916718 0.81 ALDH1A1 (0.45) CYSLTR2CYSLTR1CNR1
SCHEMBL921750 0.80 AOC3 (0.41) AOC3
SCHEMBL921749 0.80 AOC3 (0.41) AOC3

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-0985346-B1 Fungicidal mixtures BASF AG (DE) 2003-04-23 EP disclosed
EP-0985346-A1 Fungicidal mixtures American Cyanamid Company (US) 2000-03-15 EP disclosed
US-5356908-A Agriculture E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-10-18 US disclosed
US-5223523-A Agriculture E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-29 US disclosed