SCHEMBL5159361

SCHEMBL5159361

O=C(O)CC(O)CCCCCOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.50
TRPA1 O75762 1/20 0.50
TRPV1 Q8NER1 1/20 0.48
MMP3 P08254 4/20 0.47
MMP8 P22894 4/20 0.47
MMP9 P14780 4/20 0.47
MMP1 P03956 3/20 0.47
MMP13 P45452 2/20 0.47
MMP2 P08253 1/20 0.47
MMP14 P50281 1/20 0.47
GPR84 Q9NQS5 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
EPHX2 P34913 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL27637198 0.94 MMP12 (0.52) MMP12TRPA1TRPV1MMP3MMP8
SCHEMBL27618004 0.94 MMP12 (0.52) MMP12TRPA1TRPV1MMP3MMP8
SCHEMBL27637199 0.94 MMP12 (0.52) MMP12TRPA1TRPV1MMP3MMP8
SCHEMBL5575615 0.88 MMP12 (0.55) MMP12MMP9MMP13MMP2MMP14
SCHEMBL3810677 0.88 MMP12 (0.55) MMP12MMP9MMP13MMP2MMP14
SCHEMBL4611958 0.88 MMP12 (0.55) MMP12MMP9MMP13MMP2MMP14
SCHEMBL23117118 0.88 CA1 (0.50) TRPA1MMP3MMP8MMP9MMP1
SCHEMBL19032486 0.88 CA1 (0.50) TRPA1MMP3MMP8MMP9MMP1
SCHEMBL8608254 0.88 CA1 (0.50) TRPA1MMP3MMP8MMP9MMP1
SCHEMBL25238062 0.88 CA1 (0.50) TRPA1MMP3MMP8MMP9MMP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751126-A1 ALKYL CARBAMATE-SUBSTITUTED BUTYROLACTONES SERVING AS LIPASE INHIBITORS Solvay Pharmaceuticals GmbH (DE) 2007-02-14 EP disclosed
WO-2005080366-A1 ALKYL CARBAMATE-SUBSTITUTED BUTYROLACTONES SERVING AS LIPASE INHIBITORS SOLVAY PHARMACEUTICALS GMBH (DE) 2005-09-01 WO disclosed