SCHEMBL28298064

SCHEMBL28298064

CCC(CC)(CC)C(=O)CC(=O)O.NCC=O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.31
SRR Q9GZT4 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL994719 0.85 LDHA (0.42) LDHASRRMEN1ALDH1A1CYP1A2
SCHEMBL4882056 0.83 LDHA (0.40) LDHASRRMEN1ALDH1A1CYP1A2
Propionic Acid SCHEMBL4033717 0.73
SCHEMBL9249105 0.72 CYP4F2 (0.32) ALDH1A1
Acetic Acid SCHEMBL6924407 0.67
SCHEMBL29152698 0.67 GPR84 (0.43) MEN1ALDH1A1KMT2A
Bicarbonate SCHEMBL8069099 0.67 GABRR1 (0.45) ALDH1A1CYP1A2THRBKMT2A
Acetic Acid SCHEMBL11322690 0.66 FFAR3 (0.39) ALDH1A1
Malonic Acid SCHEMBL27691496 0.66 LDHA (0.43) LDHASRRMEN1ALDH1A1CYP1A2
Acetic Acid SCHEMBL5621001 0.65 FFAR3 (0.44) ALDH1A1

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
CN-105555315-B Therapeutic polymer nano granules and its preparation and application 阿斯利康(瑞典)有限公司 2019-05-07 CN disclosed