SCHEMBL17469092

SCHEMBL17469092

O=CNCc1ccc2c(c1)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
ALKBH5 Q6P6C2 1/20 0.47
FTO Q9C0B1 1/20 0.47
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
CRHBP P24387 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHR2 Q13324 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH7 P40394 1/20 0.44
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL7666936 0.90 DPP7 (0.57) ALDH1A1DPP7GAAMEN1CRHBP
SCHEMBL19043552 0.83 LMNA (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1468162 0.78 MAPT (0.55) ALDH1A1GAASMN1; SMN2LMNAPKM
SCHEMBL4667670 0.77 ALDH1A1 (0.51) ALDH1A1ALKBH5FTOKDM1AMAOA
SCHEMBL6061509 0.77 TAAR1 (0.47) ALDH1A1GAASMN1; SMN2LMNATSHR
SCHEMBL27510406 0.77 DPP7 (0.55) ALDH1A1ALKBH5FTOKDM1AMAOA
SCHEMBL1253621 0.77 ALDH1A1 (0.51) ALDH1A1ALKBH5FTOKDM1AMAOA
SCHEMBL700617 0.76 KDM1A (0.57) ALDH1A1KDM1AMAOAMAOBGAA
SCHEMBL3298883 0.76 ALDH1A1 (0.51) ALDH1A1ALKBH5FTOKDM1AMAOA
SCHEMBL9120468 0.76 KDM4E (0.56) ALDH1A1DPP7MEN1KMT2ASMN1; SMN2

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