SCHEMBL8593262

SCHEMBL8593262

COc1ccc(CNCC(=O)O)c(C(C)=O)c1OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
TAAR1 Q96RJ0 2/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 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
SCHEMBL5963101 0.78 KMT2A (0.65) KDM4EALDH1A1KMT2AMEN1TAAR1
SCHEMBL12072042 0.77 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1TAAR1
SCHEMBL29951426 0.76 HPGD (0.60) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL10497869 0.73 CA9 (0.51) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL6866453 0.72 APLNR (0.71) ALDH1A1KMT2AMEN1TSHR
SCHEMBL19692992 0.71 KMT2A (0.54) KDM4EALDH1A1KMT2AMEN1TAAR1
SCHEMBL7821976 0.71 POLB (0.48) KDM4EALDH1A1KMT2AMEN1TAAR1
SCHEMBL11376016 0.70 SLC2A1 (0.40) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5308861 0.70 MEN1 (0.66) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL13888143 0.69 TDP1 (0.50) KDM4EALDH1A1KMT2AMEN1TAAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10136994-A None JP disclosed
JP-H10136994-A PRODUCTION OF L-VERATRYLGLYCINE SANKYO CO LTD 1998-05-26 JP disclosed
US-3996288-A Method of producing aldehydes by hydroformylation AJINOMOTO CO., INC. (JA) 1976-12-07 US disclosed