SCHEMBL14746407

SCHEMBL14746407

CC1(C)OB(c2ccc(Cl)cc2OC(F)(F)F)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 5/20 0.37
CNR2 P34972 1/20 0.35
EGFR P00533 2/20 0.35
CXCR2 P25025 1/20 0.32
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
CCR6 P51684 4/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
TRPV4 Q9HBA0 1/20 0.30
AVPR2 P30518 1/20 0.30
GPR27 Q9NS67 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 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
SCHEMBL16373781 0.88 LIPE (0.39) LIPECNR2EGFRCXCR2LPL
SCHEMBL23057745 0.82 LIPE (0.33) LIPECXCR2LPLLIPG
SCHEMBL29973522 0.82 LIPE (0.33) LIPECXCR2LPLLIPG
SCHEMBL16282205 0.81 EGFR (0.47) LIPEEGFRTRPV4SLC6A4KCNH2
SCHEMBL25368001 0.81 SNCA (0.38) LIPECXCR2CCR6KCNH2
SCHEMBL25092921 0.80 EGFR (0.37) LIPEEGFRLPLLIPGTRPV4
SCHEMBL22338002 0.80 EGFR (0.37) LIPEEGFRLPLLIPGTRPV4
SCHEMBL15912491 0.80 LPL (0.38) LIPECXCR2LPLLIPG
SCHEMBL29276160 0.79 EGFR (0.35) LIPEEGFRLPLLIPGTRPV4
SCHEMBL31713106 0.79 HRH4 (0.39) LIPECXCR2TRPV4

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
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed