SCHEMBL8438047

SCHEMBL8438047

O=C(O)CC(CC1CCCC1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
PPARA Q07869 1/20 0.41
MMP1 P03956 6/20 0.40
MMP3 P08254 5/20 0.40
IDH1 O75874 5/20 0.39
ATM Q13315 1/20 0.38
IL6ST P40189 1/20 0.37
FFAR2 O15552 1/20 0.36
NAAA Q02083 1/20 0.36
FCER2 P06734 1/20 0.36
AGTR2 P50052 1/20 0.36

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
SCHEMBL7088311 1.00 MMP2 (0.44) MMP2MMP9MMP12PPARAMMP1
SCHEMBL8438051 1.00 MMP2 (0.44) MMP2MMP9MMP12PPARAMMP1
SCHEMBL7088313 1.00 MMP2 (0.44) MMP2MMP9MMP12PPARAMMP1
SCHEMBL19819289 0.99 MMP2 (0.43) MMP2MMP9MMP12PPARAMMP1
SCHEMBL19819288 0.99 MMP2 (0.43) MMP2MMP9MMP12PPARAMMP1
SCHEMBL19819290 0.99 MMP2 (0.43) MMP2MMP9MMP12PPARAMMP1
SCHEMBL1190273 0.90 PPARA (0.42) PPARAIDH1ATMIL6STNAAA
SCHEMBL3020671 0.90 PPARA (0.39) MMP2MMP9MMP12PPARAIDH1
SCHEMBL3020667 0.90 PPARA (0.39) MMP2MMP9MMP12PPARAIDH1
SCHEMBL19815463 0.89 PPARA (0.41) PPARAIDH1ATMIL6STNAAA

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-5952507-A Process for manufacture of chiral succinic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-09-14 US disclosed