SCHEMBL9614372

SCHEMBL9614372

CC(CCCC(C(=O)O)S(=O)(=O)CCc1ccccc1)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.41
PPARA Q07869 5/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
FFAR1 O14842 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
SCHEMBL9614490 0.92 PPARA (0.53) PPARGPPARA
SCHEMBL9858293 0.81 FFAR1 (0.47) PPARGS1PR1PTGESALOX5FFAR1
SCHEMBL10420392 0.79 TRPA1 (0.48) S1PR1S1PR3ALOX5
SCHEMBL9613974 0.79 TRPA1 (0.48) S1PR1S1PR3ALOX5
SCHEMBL9613898 0.78 LMNA (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL9614190 0.77 MMP3 (0.52) PDE4APDE4BPDE4CPDE4DALOX5
SCHEMBL9614317 0.77 MMP3 (0.52) PDE4APDE4BPDE4CPDE4DALOX5
SCHEMBL9613976 0.76 MMP2 (0.51) PPARGPPARAMTNR1AMTNR1B
SCHEMBL9614242 0.75 TDP1 (0.43) S1PR1S1PR3
SCHEMBL9614321 0.74 CA2 (0.41) PPARGPPARAPTGESALOX5FFAR1

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-5145611-A Diabetes BOEHRINGER MANNHEIM GMBH (DE) 1992-09-08 US disclosed