SCHEMBL20227828

SCHEMBL20227828

COc1ccc(/C=C\C(N)=O)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
JUN P05412 1/20 0.50
NFKB1 P19838 1/20 0.50
TNFRSF1A P19438 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LY96 Q9Y6Y9 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
MAPK1 P28482 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45

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
SCHEMBL3785272 0.85 THRB (0.57) MAPTALDH1A1MEN1KMT2AJUN
SCHEMBL3719966 0.85 MAPT (0.55) MAPTALDH1A1MEN1KMT2AJUN
SCHEMBL3785276 0.85 THRB (0.57) MAPTALDH1A1MEN1KMT2AJUN
SCHEMBL3719964 0.85 MAPT (0.55) MAPTALDH1A1MEN1KMT2AJUN
SCHEMBL3896958 0.84 MAPT (0.54) MAPTALDH1A1MEN1KMT2AJUN
SCHEMBL3896955 0.84 MAPT (0.54) MAPTALDH1A1MEN1KMT2AJUN
SCHEMBL7411020 0.84 MAPT (0.77) MAPTALDH1A1MEN1KMT2AJUN
SCHEMBL8147548 0.84 MAPT (0.77) MAPTALDH1A1MEN1KMT2AJUN
SCHEMBL11355877 0.83 MAPT (0.53) MAPTALDH1A1MEN1KMT2AJUN
SCHEMBL22398305 0.83 CA12 (0.57) MAPTALDH1A1MEN1KMT2AJUN

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-2018100191-A1 AGROCHEMICAL COMPOSITIONS COMPRISING PHENYL-PROPANOIC ACID DERIVATIVES FOR CROP YIELD INCREASE VIB VZW (BE) 2018-06-07 WO disclosed