SCHEMBL9768283

SCHEMBL9768283

CCC(O)C(O)CCNCC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
CES1 P23141 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
DPP4 P27487 1/20 0.42
JAK3 P52333 1/20 0.41
BTK Q06187 1/20 0.41
ALDH1A1 P00352 6/20 0.41
TRPA1 O75762 1/20 0.41
GSK3B P49841 1/20 0.41
HIF1A Q16665 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40

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
SCHEMBL9768001 0.91 KMT2A (0.43) KMT2AMEN1HPGDSMN1; SMN2MAPK1
SCHEMBL9768073 0.88 NAAA (0.43) KMT2AMEN1HPGDSMN1; SMN2MAPK1
SCHEMBL9768045 0.88 DPP4 (0.47) KMT2AMEN1HPGDSMN1; SMN2MAPK1
SCHEMBL9768028 0.86 NAAA (0.48) CES1JAK3BTKALDH1A1
SCHEMBL9768038 0.86 NAAA (0.48) CES1JAK3BTKALDH1A1
SCHEMBL9768299 0.86 NAAA (0.48) CES1JAK3BTKALDH1A1
SCHEMBL9768164 0.86 NAAA (0.48) CES1JAK3BTKALDH1A1
SCHEMBL9768084 0.86 NAAA (0.48) CES1JAK3BTKALDH1A1
SCHEMBL11137757 0.79 HPGD (0.54) KMT2AMEN1HPGDSMN1; SMN2MAPK1
SCHEMBL9768146 0.78 KMT2A (0.46) KMT2AMEN1HPGDSMN1; SMN2MAPK1

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