SCHEMBL8604103

SCHEMBL8604103

O=C(O)C(CCNS(=O)(=O)CCc1ccccc1)Oc1cccc2c1CCC=C2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 3/20 0.38
MMP12 P39900 3/20 0.38
MMP13 P45452 3/20 0.38
MMP1 P03956 1/20 0.38
MMP7 P09237 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 7/20 0.34
PPARA Q07869 5/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
CASP1 P29466 1/20 0.34
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
PLA2G2A P14555 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL8603483 0.80 GAA (0.43) PPARGPPARA
SCHEMBL8604548 0.80 MMP8 (0.43) MMP8MMP12MMP13MMP1MMP7
SCHEMBL8604098 0.72 MMP8 (0.41) MMP8MMP12MMP13MMP1MMP7
SCHEMBL8604101 0.70 ITGB3 (0.35) MMP8MMP12MMP13MMP1MMP7
SCHEMBL8414123 0.70 C3AR1 (0.33)
SCHEMBL8411289 0.66 PPARG (0.34) PPARGPPARA
SCHEMBL8414351 0.66 PTGIR (0.30)
SCHEMBL8414339 0.65 PPARG (0.34) PPARGPPARA
SCHEMBL8603616 0.65 SLC6A4 (0.47) PPARGPPARA
SCHEMBL8623405 0.65 PTGIR (0.56) MMP8MMP12MMP13MMP1MMP7

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-5723493-A PROSTAGLANDIN DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1998-03-03 US disclosed