SCHEMBL640147

SCHEMBL640147

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.45
PPARA Q07869 5/20 0.45
MMP2 P08253 3/20 0.42
MMP8 P22894 3/20 0.42
MMP12 P39900 3/20 0.42
MMP13 P45452 3/20 0.42
MMP14 P50281 3/20 0.42
MMP16 P51512 3/20 0.42
PTGDR2 Q9Y5Y4 5/20 0.41
PTGDR Q13258 2/20 0.41
PPARD Q03181 3/20 0.40
MMP9 P14780 2/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
RXFP1 Q9HBX9 1/20 0.38
AKR1C4 P17516 1/20 0.37
PTGS1 P23219 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL15891016 0.90 MMP2 (0.48) PPARGPPARAMMP2MMP8MMP12
SCHEMBL640431 0.88 MMP2 (0.40) PPARGPPARAMMP2MMP8MMP12
SCHEMBL639915 0.84 PPARG (0.49) PPARGPPARAMMP2MMP8MMP12
SCHEMBL641531 0.74 PPARG (0.56) PPARGPPARAPTGDR2PTGDRPPARD
SCHEMBL640318 0.73 MMP2 (0.52) PPARGPPARAMMP2MMP8MMP12
SCHEMBL640778 0.73 DAO (0.41) PPARGMEN1KMT2A
SCHEMBL639665 0.72 MMP2 (0.44) PPARGPPARAMMP2MMP8MMP12
SCHEMBL640650 0.71 PPARG (0.48) PPARGPPARAPTGDR2PTGDRPPARD
SCHEMBL640146 0.70 PPARG (0.45) PPARGPPARAPTGDR2PTGDRPPARD
SCHEMBL639914 0.69 PPARG (0.47) PPARGPPARAMMP2PTGDR2PTGDR

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