SCHEMBL9768146

SCHEMBL9768146

O=C(CNCCC(O)CO)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CYP3A4 P08684 3/20 0.46
HPGD P15428 3/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALOX15 P16050 1/20 0.46
CES1 P23141 1/20 0.46
ALDH1A1 P00352 5/20 0.43
GSK3B P49841 2/20 0.43
HIF1A Q16665 2/20 0.43
TRPA1 O75762 1/20 0.43
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
DPP4 P27487 1/20 0.41
PTPN1 P18031 2/20 0.41
CYP1A2 P05177 2/20 0.41

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
SCHEMBL9768045 0.81 DPP4 (0.47) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL18306239 0.80 HPGD (0.62) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL17414793 0.79 HPGD (0.56) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL13365304 0.79 HPGD (0.60) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL9768283 0.78 KMT2A (0.43) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL9768001 0.78 KMT2A (0.43) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL3121316 0.78 TDP1 (0.53) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL18503706 0.77 HPGD (0.62) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL5932634 0.76 HPGD (0.68) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL9768255 0.76 HPGD (0.52) KMT2AMEN1CYP3A4HPGDMAPK1

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
US-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 US disclosed