SCHEMBL13655889

SCHEMBL13655889

CCOC(C)Cc1ccc(NC(=O)OCCCc2ccc(OS(C)(=O)=O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.53
PPARA Q07869 5/20 0.53
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
RECQL P46063 1/20 0.48
HPGD P15428 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
CASP1 P29466 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
MCL1 Q07820 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CHRNA7 P36544 1/20 0.40
CRHBP P24387 1/20 0.40

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
SCHEMBL4082101 0.90 PPARA (0.67) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL13655826 0.89 PPARG (0.48) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL4073436 0.88 PPARG (0.56) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL7068947 0.83 PPARA (0.46) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL13655823 0.81 PPARA (0.50) PPARGPPARAMAPT
SCHEMBL13655792 0.81 PPARA (0.50) PPARGPPARAMAPT
SCHEMBL7068949 0.80 NPC1 (0.46) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL5306788 0.79 PPARG (0.53) PPARGPPARANPC1RAB9ASMN1; SMN2
Arginine SCHEMBL4085902 0.78 PPARA (0.51) PPARGPPARANPC1RAB9ASMN1; SMN2
Arginine SCHEMBL4076394 0.78 PPARA (0.51) PPARGPPARANPC1RAB9ASMN1; SMN2

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-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US disclosed
US-7314889-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2008-01-01 US disclosed