SCHEMBL91918

SCHEMBL91918

CCCOc1cc(OCCC)c(-c2cc(F)c(COc3cc(C)c(C)c(C)c3)c(F)c2)c(OCCC)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.39
KAT6A Q92794 2/20 0.34
CD274 Q9NZQ7 1/20 0.34
PPARD Q03181 1/20 0.33
ELANE P08246 1/20 0.32
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL14075505 0.83 FFAR1 (0.35) FFAR1PPARDELANEADORA3
SCHEMBL91829 0.81 ADORA3 (0.33) FFAR1ELANEADORA3
SCHEMBL91910 0.79 ADORA3 (0.35) FFAR1ELANEADORA3
SCHEMBL91849 0.75 FFAR1 (0.41) FFAR1KAT6AELANE
SCHEMBL13863902 0.75 RARB (0.36)
SCHEMBL13863807 0.74 RARA (0.38) ELANE
SCHEMBL12925858 0.73 GPR84 (0.44) KAT6AELANE
SCHEMBL13863873 0.72 FFAR4 (0.32) ELANE
SCHEMBL13863876 0.72 PLA2G2A (0.39)
SCHEMBL13863811 0.72 PLA2G2A (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed