SCHEMBL13817467

SCHEMBL13817467

O=C(OCc1cccc(C(F)(F)F)c1)/C(=C\c1ccc(Cl)cc1)C(O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
FFAR1 O14842 1/20 0.40
PRKCA P17252 1/20 0.39
PRKCD Q05655 1/20 0.39
CYP3A4 P08684 4/20 0.38
MMP1 P03956 1/20 0.37
MMP12 P39900 1/20 0.37
KCNA5 P22460 1/20 0.37
PPARG P37231 3/20 0.36
CNR1 P21554 1/20 0.36
VNN1 O95497 1/20 0.36
CCR1 P32246 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
TBXAS1 P24557 1/20 0.35

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
SCHEMBL3103154 1.00 CYP19A1 (0.41) CYP19A1FFAR1PRKCAPRKCDCYP3A4
SCHEMBL13817524 0.93 FFAR1 (0.40) CYP19A1FFAR1PRKCAPRKCDCYP3A4
SCHEMBL3106204 0.93 FFAR1 (0.40) CYP19A1FFAR1PRKCAPRKCDCYP3A4
SCHEMBL13817518 0.92 FFAR1 (0.40) CYP19A1FFAR1PRKCAPRKCDMMP1
SCHEMBL3107992 0.92 FFAR1 (0.40) CYP19A1FFAR1PRKCAPRKCDMMP1
SCHEMBL13817520 0.92 FFAR1 (0.41) FFAR1PRKCAPRKCDMMP1MMP12
SCHEMBL3112496 0.92 FFAR1 (0.41) FFAR1PRKCAPRKCDMMP1MMP12
SCHEMBL3109506 0.92 FFAR1 (0.43) FFAR1PRKCAPRKCDMMP1MMP12
SCHEMBL13817466 0.92 FFAR1 (0.43) FFAR1PRKCAPRKCDMMP1MMP12
SCHEMBL13817522 0.91 ALDH1A1 (0.41) FFAR1PRKCAPRKCDCYP3A4MMP1

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
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed