SCHEMBL10651950

SCHEMBL10651950

C#CC(C)(CCCc1ccc(F)c(Oc2ccccc2)c1)c1ccc(OCCC)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 1/20 0.35
FAAH O00519 1/20 0.34
KAT6A Q92794 1/20 0.34
CACNA1B Q00975 3/20 0.34
LPAR1 Q92633 2/20 0.33
LPAR5 Q9H1C0 2/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL10647356 0.97 LTA4H (0.41) LTA4HPPARGPPARAFAAHCACNA1B
SCHEMBL7903533 0.92 LTA4H (0.39) LTA4HPPARGKAT6ALPAR1LPAR5
SCHEMBL10649524 0.90 S1PR1 (0.34) LPAR1LPAR5
SCHEMBL10655295 0.90 S1PR1 (0.38) LPAR1LPAR5
SCHEMBL10651741 0.89 KIF11 (0.35) LPAR1LPAR5
SCHEMBL10646576 0.89 LTA4H (0.38) LTA4HPPARGPPARAFAAHKAT6A
SCHEMBL10646963 0.88 LPAR1 (0.39) LTA4HLPAR1LPAR5
SCHEMBL10649937 0.88 FDFT1 (0.34) LPAR1LPAR5
SCHEMBL10647419 0.88 LPAR1 (0.36) LTA4HLPAR1LPAR5
SCHEMBL10647918 0.88 KCNH2 (0.34) PPARGPPARAKAT6ALPAR1LPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0193189-B1 NOVEL COMPOUND, ITS PRODUCTION AND INSECTICIDAL AND ACARICIDAL COMPOSITION CONTAINING IT AS AN ACTIVE INGREDIENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-09-28 EP disclosed
US-4772633-A 6-pyridyl- and 6-phenyl-3-phenyl-1-hexenes and -1-hexynes, composition containing them, and insecticidal and acaricidal method of using them SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-09-20 US disclosed