SCHEMBL6167550

SCHEMBL6167550

OCc1cc(-c2ccc(C(F)(F)F)cc2)oc1COc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PPARD Q03181 10/20 0.43
PPARG P37231 5/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP4B1 P13584 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP3A5 P20815 1/20 0.42
CYP2A7 P20853 1/20 0.42
CYP3A7 P24462 1/20 0.42
CYP2F1 P24903 1/20 0.42
CYP2C18 P33260 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL3906796 0.82 PPARA (0.47) FFAR1FFAR4PPARDPPARGPTGER4
SCHEMBL3906472 0.80 CYP1A1 (0.39) FFAR1PPARDPPARGCYP1A1CYP1A2
SCHEMBL3904783 0.79 PPARD (0.48) FFAR1FFAR4PPARDPPARGCYP1A2
SCHEMBL3911360 0.79 PPARD (0.42) FFAR1FFAR4PPARDPPARGPTGER4
SCHEMBL3111585 0.78 CYP1A1 (0.43) FFAR1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL6165133 0.77 CYP1A1 (0.41) FFAR1PPARGCYP1A1CYP1A2CYP2E1
SCHEMBL3905477 0.77 PPARD (0.52) PPARDPPARGPPARA
SCHEMBL6162606 0.76 CYP3A4 (0.41) FFAR1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL5862799 0.76 CYP1A1 (0.41) FFAR1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL5861211 0.76 CYP1A1 (0.41) FFAR1CYP1A1CYP1A2CYP2E1CYP3A4

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-1392674-B1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-08-10 EP disclosed