SCHEMBL14036604

SCHEMBL14036604

CC(Oc1ccc(F)cc1I)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
TSHR P16473 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
MEN1 O00255 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
PTGDR2 Q9Y5Y4 5/20 0.41
PTGDR Q13258 1/20 0.41
GAA P10253 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
PKM P14618 2/20 0.39
CYP2C9 P11712 1/20 0.39
MKNK2 Q9HBH9 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ABCB11 O95342 1/20 0.37

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
SCHEMBL30336909 0.83 KMT2A (0.61) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL17892008 0.82 TSHR (0.67) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL17892011 0.82 TSHR (0.67) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL28757728 0.81 PKM (0.54) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL21057140 0.81 TSHR (0.49) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL2099802 0.81 TSHR (0.69) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL21057142 0.81 TSHR (0.49) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL3345930 0.81 TSHR (0.69) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL12667905 0.81 TSHR (0.56) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL2112936 0.81 PKM (0.54) KMT2ATSHRHTR2AHTR2CHTR2B

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
EP-2145007-B1 NOVEL HERBICIDE RESISTANCE GENES DOW AGROSCIENCES LLC (US) 2017-01-25 EP disclosed
WO-2008141154-A2 NOVEL HERBICIDE RESISTANCE GENES DOW AGROSCIENCES LLC (US) 2008-11-20 WO disclosed