SCHEMBL11228384

SCHEMBL11228384

CCOC(=O)C(C(=O)C(=O)O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.66
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
KMT2A Q03164 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
TSHR P16473 2/20 0.49
PIN1 Q13526 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
SRC P12931 1/20 0.45
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL266419 0.89 MMP8 (0.74) MMP8MEN1NPC1KMT2ACA12
SCHEMBL6558799 0.88 MMP8 (0.64) MMP8MEN1NPC1KMT2ACA12
SCHEMBL31069943 0.87 MMP8 (0.72) MMP8MEN1NPC1KMT2ACA12
SCHEMBL28674585 0.87 MMP8 (0.72) MMP8MEN1NPC1KMT2ACA12
SCHEMBL10965475 0.86 MMP8 (0.62) MMP8MEN1NPC1KMT2ACA12
SCHEMBL1275691 0.85 MMP8 (0.70) MMP8MEN1NPC1KMT2ACA12
SCHEMBL28474562 0.84 MMP8 (0.73) MMP8MEN1NPC1KMT2ACA12
Hydrochloric Acid SCHEMBL10677191 0.84 MMP8 (0.68) MMP8MEN1NPC1KMT2ACA12
SCHEMBL6959479 0.84 MMP8 (0.68) MMP8MEN1NPC1KMT2ACA12
SCHEMBL583575 0.84 MMP8 (0.68) MMP8MEN1NPC1KMT2ACA12

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-4351952-A Process for preparing phenyl pyruvic acids MONTEDISON S.P.A. (IT) 1982-09-28 US disclosed