SCHEMBL6945571

SCHEMBL6945571

CC(C)(C)OC(=O)c1ccc(CNC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
EPHX2 P34913 6/20 0.48
NR1H4 Q96RI1 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 3/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
MEN1 O00255 2/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NAMPT P43490 2/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL19682558 0.87 KMT2A (0.60) EPHX2NR1H4KMT2AMEN1RAB9A
SCHEMBL10165179 0.87 NAMPT (0.56) EPHX2NR1H4KMT2AMEN1RAB9A
SCHEMBL23409688 0.83 HTT (0.47) HTTEPHX2NR1H4SMN1; SMN2KMT2A
SCHEMBL22837952 0.83 EPHX2 (0.47) EPHX2NR1H4KMT2AMEN1RAB9A
SCHEMBL18954397 0.83 EPHX2 (0.50) EPHX2NR1H4KMT2AMEN1RAB9A
SCHEMBL34481 0.82 CA1 (0.53) EPHX2NR1H4SMN1; SMN2LMNAHDAC6
SCHEMBL13884422 0.81 CA1 (0.49) HTTKMT2AMEN1LMNANAMPT
SCHEMBL6451649 0.81 CA1 (0.48) EPHX2NR1H4SMN1; SMN2KMT2AMEN1
SCHEMBL7428120 0.81 HDAC1 (0.56) SMN1; SMN2KMT2AMEN1LMNANAMPT
SCHEMBL7322209 0.80 HTT (0.73) HTTSMN1; SMN2KMT2AMEN1RAB9A

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
EP-0944582-B1 KETOBENZAMIDES AS CALPAIN INHIBITORS ABBOTT GMBH & CO KG (DE) 2003-07-02 EP disclosed