SCHEMBL18138665

SCHEMBL18138665

O=Cc1ccc(OC(F)(F)F)cc1-c1cc(Br)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.44
SCN5A Q14524 2/20 0.44
FFAR1 O14842 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP3A4 P08684 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1C Q13936 1/20 0.40
WDR5 P61964 1/20 0.37
EIF4E P06730 1/20 0.36
CES1 P23141 1/20 0.36
PDE2A O00408 2/20 0.36
CHRM5 P08912 2/20 0.35
GPR3 P46089 1/20 0.35
ABL1 P00519 2/20 0.34
JAK2 O60674 1/20 0.34
NT5E P21589 1/20 0.34

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
SCHEMBL4598834 0.82 ALDH1A1 (0.47) PDE2A
SCHEMBL30640 0.79 FFAR1 (0.45) FFAR4FFAR1PDE2A
SCHEMBL15015817 0.79 PDE2A (0.37) FFAR4FFAR1PDE2A
SCHEMBL4967837 0.77 PIM1 (0.39) NT5E
SCHEMBL6201722 0.77 FFAR4 (0.41) FFAR4SCN5AFFAR1CYP2C9CYP3A4
SCHEMBL3148079 0.77 TDP1 (0.50) FFAR4SCN5AFFAR1CYP2C9CYP3A4
SCHEMBL18138688 0.76 FFAR4 (0.46) FFAR4SCN5AFFAR1CYP2C9CYP3A4
SCHEMBL29985 0.76 ERN1 (0.47)
SCHEMBL3795481 0.74 ERN1 (0.36) CYP2C9KCNH2PDE2A
SCHEMBL15147553 0.74 GAA (0.47) SCN5ACYP2C9CYP3A4WDR5CES1

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
EP-2895490-B1 GLUCOPYRANOSYL DERIVATIVES AND THEIR USES IN MEDICINE SUNSHINE LAKE PHARMA CO LTD (CN) 2016-10-19 EP disclosed