SCHEMBL11566682

SCHEMBL11566682

CCCOC(=O)C(C)Oc1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
PKM P14618 1/20 0.38
PPARG P37231 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 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
SCHEMBL10387510 0.93 MEN1 (0.36) KMT2AMEN1MAPK1L3MBTL1ALDH1A1
SCHEMBL10387640 0.92 MEN1 (0.48) KMT2AMEN1MAPK1L3MBTL1ALDH1A1
SCHEMBL10693531 0.88 ALDH1A1 (0.44) KMT2AMEN1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL10386448 0.88 MAPK1 (0.51) KMT2AMEN1MAPK1L3MBTL1ALDH1A1
SCHEMBL10388787 0.87 MAPK1 (0.44) KMT2AMEN1MAPK1L3MBTL1ALDH1A1
SCHEMBL9820875 0.87 MAPK1 (0.44) KMT2AMEN1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL11102347 0.86 KMT2A (0.40) KMT2AMEN1MAPK1L3MBTL1ALDH1A1
SCHEMBL10387605 0.85 KMT2A (0.40) KMT2AMEN1MAPK1L3MBTL1ALDH1A1
SCHEMBL11095826 0.85 MAPK1 (0.39) KMT2AMEN1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL11098548 0.84 KMT2A (0.41) KMT2AMEN1MAPK1L3MBTL1ALDH1A1

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-0001473-A2 Herbicidal halogenomethyl--pyridyloxy-phenoxy-alkanecarboxylic acids and derivatives, and processes of controlling unwanted plants therewith IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-04-18 EP claimed