SCHEMBL7791055

SCHEMBL7791055

CCC=CCCOC(=O)c1cc(OC)cc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
ESR1 P03372 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL7791051 1.00 KMT2A (0.44) KMT2AMEN1PKMSMN1; SMN2ALDH1A1
Methyl 3,5-Dimethoxybenzoate SCHEMBL7797273 0.91 KMT2A (0.41) KMT2AMEN1PKMSMN1; SMN2ALDH1A1
SCHEMBL2767815 0.85 MAPT (0.54) KMT2AMEN1PKMSMN1; SMN2ALDH1A1
SCHEMBL2767817 0.85 MAPT (0.54) KMT2AMEN1PKMSMN1; SMN2ALDH1A1
SCHEMBL11236182 0.82 SERPINE1 (0.53) KMT2AMEN1PKMSMN1; SMN2ALDH1A1
SCHEMBL8641536 0.80 KDM4E (0.55) KMT2AMEN1PKMSMN1; SMN2ALDH1A1
SCHEMBL4734240 0.80 SERPINE1 (0.64) L3MBTL1KDM4EPOLBESR1GAA
SCHEMBL11679863 0.79 KMT2A (0.46) KMT2AMEN1PKMSMN1; SMN2ALDH1A1
SCHEMBL28583778 0.78 ESR1 (0.63) KMT2ASMN1; SMN2TSHRL3MBTL1POLB
SCHEMBL3258075 0.77 MEN1 (0.64) KMT2AMEN1PKMSMN1; SMN2ALDH1A1

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-1162885-A1 USE FOR CONIFER SAPLING PROTECTION Nordlander, Göran (SE) 2001-12-19 EP disclosed
WO-2000056152-A1 USE FOR CONIFER SAPLING PROTECTION ROBIGUS AB (SE) 2000-09-28 WO disclosed