SCHEMBL17469017

SCHEMBL17469017

[O-][N+]1(Cc2ccc3c(c2)OCO3)Cc2ccccc2OC(c2ccc(Cl)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TSHR P16473 2/20 0.35
PKM P14618 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LTA4H P09960 8/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33

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
SCHEMBL17469074 0.83 KDM4E (0.33) MAOBSMN1; SMN2MEN1KMT2AGAA
SCHEMBL17469010 0.82 GUSB (0.35)
SCHEMBL17459442 0.78 GUSB (0.37) MAOBLTA4HMAPT
SCHEMBL17469075 0.72 GUSB (0.35)
SCHEMBL17468768 0.69 FFAR1 (0.35) KDM1A
SCHEMBL17468781 0.69 GUSB (0.36) MAOBLTA4HMAPT
SCHEMBL11048736 0.62 ESR1 (0.54) MAOBGAAALDH1A1
SCHEMBL29393223 0.61 LTA4H (0.60) LTA4H
SCHEMBL17468760 0.61 LDHA (0.35)
SCHEMBL5211220 0.60 TAAR1 (0.59) MAOBTSHRPKMHTTMEN1

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
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed