SCHEMBL9502143

SCHEMBL9502143

CCOC(=O)C(C(=O)OCC)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.61
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PTGS2 P35354 1/20 0.50
PIN1 Q13526 1/20 0.49
TSHR P16473 2/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TARBP2 Q15633 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 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
SCHEMBL1657163 0.92 MMP8 (0.56) MMP8NPC1MEN1KMT2APTGS2
SCHEMBL266419 0.89 MMP8 (0.74) MMP8NPC1MEN1KMT2APIN1
SCHEMBL28674585 0.87 MMP8 (0.72) MMP8NPC1MEN1KMT2APIN1
SCHEMBL31069943 0.87 MMP8 (0.72) MMP8NPC1MEN1KMT2APIN1
SCHEMBL271585 0.87 MMP8 (0.59) MMP8NPC1MEN1KMT2APIN1
SCHEMBL13009601 0.84 LMNA (0.51) MMP8NPC1MEN1KMT2ATSHR
SCHEMBL11833508 0.84 PTGS2 (0.49) MMP8NPC1MEN1KMT2APTGS2
SCHEMBL28474562 0.84 MMP8 (0.73) MMP8NPC1MEN1KMT2APIN1
SCHEMBL11729113 0.83 PTGS2 (0.47) MMP8NPC1MEN1KMT2APTGS2
SCHEMBL11850461 0.83 PTGS2 (0.47) MMP8NPC1MEN1KMT2APTGS2

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-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 US disclosed