SCHEMBL11228401

SCHEMBL11228401

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.55
SRC P12931 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 2/20 0.48
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.45
PIN1 Q13526 1/20 0.44
GAA P10253 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL6558799 0.90 MMP8 (0.64) MMP8SRCMEN1KMT2ATSHR
SCHEMBL10965475 0.88 MMP8 (0.62) MMP8SRCMEN1KMT2ATSHR
SCHEMBL3496188 0.85 MMP8 (0.51) MMP8MEN1KMT2ATSHRALDH1A1
SCHEMBL1275691 0.84 MMP8 (0.70) MMP8SRCMEN1KMT2ATSHR
SCHEMBL26982461 0.83 MMP8 (0.53) MMP8SRCMEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL10677191 0.82 MMP8 (0.68) MMP8SRCMEN1KMT2ATSHR
Ethane SCHEMBL27824026 0.82 MMP8 (0.68) MMP8SRCMEN1KMT2ATSHR
Methane SCHEMBL28306525 0.82 MMP8 (0.68) MMP8SRCMEN1KMT2ATSHR
SCHEMBL7636543 0.81 MEN1 (0.54) MMP8MEN1KMT2ATSHRALDH1A1
Iodomethane SCHEMBL8860313 0.81 MMP8 (0.66) MMP8SRCMEN1KMT2ATSHR

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