SCHEMBL7978017

SCHEMBL7978017

[CH2]c1ccccc1C(=O)NCC=C

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.68
CYP1A2 P05177 2/20 0.68
MAPT P10636 2/20 0.59
ALDH1A1 P00352 6/20 0.56
TP53 P04637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALOX15 P16050 1/20 0.51
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL5885064 0.82 HPGD (0.68) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL3459359 0.82 CA1 (0.70) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL4559294 0.81 HPGD (0.66) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL1561753 0.81 HPGD (0.66) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL16634735 0.81 HPGD (0.66) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL461826 0.81 HPGD (0.66) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL9539900 0.81 ALDH1A1 (0.81) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL7870127 0.81 HPGD (0.66) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL727376 0.79 ALDH1A1 (0.64) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL28618627 0.79 HPGD (0.64) HPGDCYP1A2MAPTALDH1A1TP53

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-2001030782-A2 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-05-03 WO claimed