SCHEMBL640431

SCHEMBL640431

COc1ccc(S(=O)(=O)n2c(=O)n(-c3c(CC(=O)O)cccc3C(C)(C)C)c3cc(C#N)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.40
MMP8 P22894 3/20 0.40
MMP12 P39900 3/20 0.40
MMP13 P45452 3/20 0.40
MMP14 P50281 3/20 0.40
MMP16 P51512 3/20 0.40
PTGDR2 Q9Y5Y4 5/20 0.39
PTGDR Q13258 1/20 0.39
MMP9 P14780 2/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.35
PPARD Q03181 3/20 0.35
TRPV4 Q9HBA0 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
TUBB4A P04350 1/20 0.34

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
SCHEMBL640147 0.88 PPARG (0.45) MMP2MMP8MMP12MMP13MMP14
SCHEMBL15891016 0.87 MMP2 (0.48) MMP2MMP8MMP12MMP13MMP14
SCHEMBL639665 0.85 MMP2 (0.44) MMP2MMP8MMP12MMP13MMP14
SCHEMBL638525 0.74 PGR (0.38)
SCHEMBL639915 0.72 PPARG (0.49) MMP2MMP8MMP12MMP13MMP14
SCHEMBL640430 0.72 HCRTR1 (0.38) PTGDR2PTGDRHCRTR1HCRTR2PPARG
SCHEMBL640318 0.72 MMP2 (0.52) MMP2MMP8MMP12MMP13MMP14
SCHEMBL639891 0.72 PTGDR2 (0.39) MMP2PTGDR2PTGDRMMP9HCRTR1
SCHEMBL639664 0.70 HCRTR1 (0.39) MMP2PTGDR2PTGDRMMP9MMP3
SCHEMBL640722 0.69 HCRTR1 (0.35) PTGDR2PTGDRHCRTR1HCRTR2PPARG

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
US-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed