SCHEMBL9768045

SCHEMBL9768045

CC(O)C(O)CCNCC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
ALDH1A1 P00352 6/20 0.46
HPGD P15428 5/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 3/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPT P10636 2/20 0.46
ALOX15 P16050 1/20 0.46
CES1 P23141 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SIGMAR1 Q99720 1/20 0.43
GSK3B P49841 2/20 0.43
TRPA1 O75762 1/20 0.43
HIF1A Q16665 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
JAK3 P52333 1/20 0.42

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 0.88 KMT2A (0.43) DPP4ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL9768283 0.88 KMT2A (0.43) DPP4ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL9768073 0.85 NAAA (0.43) DPP4ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL9768084 0.83 NAAA (0.48) ALDH1A1CES1JAK3BTK
SCHEMBL9768299 0.83 NAAA (0.48) ALDH1A1CES1JAK3BTK
SCHEMBL9768038 0.83 NAAA (0.48) ALDH1A1CES1JAK3BTK
SCHEMBL9768028 0.83 NAAA (0.48) ALDH1A1CES1JAK3BTK
SCHEMBL9768164 0.83 NAAA (0.48) ALDH1A1CES1JAK3BTK
SCHEMBL9768146 0.81 KMT2A (0.46) DPP4ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL18306239 0.80 HPGD (0.62) ALDH1A1HPGDKMT2ASMN1; SMN2MEN1

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