SCHEMBL13817522

SCHEMBL13817522

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR1 O14842 1/20 0.39
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
MRGPRX4 Q96LA9 3/20 0.36
MMP1 P03956 1/20 0.36
MMP12 P39900 1/20 0.36
KCNA5 P22460 1/20 0.36
CCR1 P32246 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP1B1 Q16678 1/20 0.36
CSF1R P07333 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
SCHEMBL3104050 1.00 ALDH1A1 (0.41) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL3103154 0.91 CYP19A1 (0.41) FFAR1PRKCAPRKCDMMP1MMP12
SCHEMBL13817467 0.91 CYP19A1 (0.41) FFAR1PRKCAPRKCDMMP1MMP12
SCHEMBL3107992 0.91 FFAR1 (0.40) FFAR1PRKCAPRKCDMRGPRX4MMP1
SCHEMBL13817518 0.91 FFAR1 (0.40) FFAR1PRKCAPRKCDMRGPRX4MMP1
SCHEMBL13817524 0.90 FFAR1 (0.40) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL3106204 0.90 FFAR1 (0.40) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL3092510 0.89 FFAR1 (0.40) FFAR1PRKCAPRKCDMMP1MMP12
SCHEMBL13817523 0.89 FFAR1 (0.40) FFAR1PRKCAPRKCDMMP1MMP12
SCHEMBL3112496 0.89 FFAR1 (0.41) ALDH1A1LMNAFFAR1PRKCAPRKCD

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