SCHEMBL640146

SCHEMBL640146

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)O)(c3ccccc3)C(C)(C)C)c3cc(Cl)ccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.45
PPARA Q07869 4/20 0.45
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.38
PPARD Q03181 2/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
HTR6 P50406 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL15891015 0.89 CXCL8 (0.42) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL639914 0.76 PPARG (0.47) PPARGPPARARXFP1MEN1KMT2A
SCHEMBL640650 0.75 PPARG (0.48) PPARGPPARARXFP1MEN1KMT2A
SCHEMBL641531 0.74 PPARG (0.56) PPARGPPARARXFP1MEN1KMT2A
SCHEMBL10143431 0.74 NOD1 (0.53) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL641222 0.73 PPARG (0.44) PPARGPPARARXFP1MEN1KMT2A
SCHEMBL639915 0.72 PPARG (0.49) PPARGPPARARXFP1MEN1KMT2A
SCHEMBL640078 0.72 RXFP1 (0.46) PPARGPPARARXFP1MEN1KMT2A
SCHEMBL641506 0.72 PPARG (0.45) PPARGPPARARXFP1MEN1KMT2A
SCHEMBL639656 0.71 PPARG (0.43) PPARGPPARARXFP1MEN1KMT2A

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