SCHEMBL5991950

SCHEMBL5991950

CCc1ccc(OC)c(-c2nccs2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.47
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
ECE1 P42892 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRB2 P07550 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
CTSA P10619 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR7 P34969 1/20 0.39
SLC6A9 P48067 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL30441936 0.80 SMPD3 (0.50) SMPD3ECE1SMN1; SMN2CTSAKDM4E
SCHEMBL14951107 0.80 SMPD3 (0.50) SMPD3ECE1LMNAMAPK1SMN1; SMN2
SCHEMBL28120090 0.79 KCNMA1 (0.53) SMPD3PPARGECE1SMN1; SMN2CTSA
SCHEMBL19304124 0.79 ADRB2 (0.43) PPARGPPARDLMNAMAPK1SMN1; SMN2
SCHEMBL5989736 0.79 THRA (0.46) SMPD3PPARGPPARDSMN1; SMN2ADRB2
SCHEMBL24731506 0.79 SMPD3 (0.49) SMPD3PPARGECE1LMNAMAPK1
SCHEMBL8940769 0.77 HTR7 (0.53) PPARGPPARDLMNAMAPK1SMN1; SMN2
SCHEMBL27316656 0.77 CTSA (0.51) SMPD3ECE1SMN1; SMN2CTSAALDH1A1
SCHEMBL3922359 0.76 CASR (0.57) LMNASMN1; SMN2CTSA
SCHEMBL24988889 0.76 ADRB2 (0.43) PPARGPPARDLMNAMAPK1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed