SCHEMBL1400849

SCHEMBL1400849

CCCCOc1cc(CC(C)C(=O)O)ccc1-c1csc(CN(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.37
PTGER1 P34995 2/20 0.37
PTGER4 P35408 2/20 0.37
PTGER3 P43115 2/20 0.37
PTGER2 P43116 2/20 0.37
PTGES O14684 3/20 0.36
ALOX5 P09917 3/20 0.36
PPARA Q07869 3/20 0.34
PPARD Q03181 3/20 0.34
REN P00797 1/20 0.34
HTR2C P28335 2/20 0.34
SLC6A4 P31645 2/20 0.34
PTPN1 P18031 1/20 0.32
PDK2 Q15119 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL5198183 0.86 RXRA (0.41) PPARGPTGER1PTGER4PTGER3PTGER2
SCHEMBL68526 0.83 PPARG (0.36) PPARGPTGER1PTGER4PTGER3PTGER2
SCHEMBL1400847 0.83 PTGER1 (0.34) PTGER1PTGER4PTGER3PTGER2PPARD
SCHEMBL5198621 0.81 KDM4E (0.43) PPARGPPARAPPARD
SCHEMBL1400797 0.80 PDK2 (0.32) PTGESALOX5PPARDHTR2CSLC6A4
SCHEMBL1400796 0.80 PDK2 (0.32) PTGESALOX5PPARDHTR2CSLC6A4
SCHEMBL1400699 0.80 ALOX15 (0.36) PPARGPTGER1PTGER4PTGER3PTGER2
SCHEMBL67070 0.72 RXRA (0.44) PPARGPTPN1S1PR1S1PR3S1PR5
SCHEMBL2843431 0.70 HTR2C (0.43) HTR2CSLC6A4
SCHEMBL67388 0.69 TDP1 (0.40) PPARDPTPN1

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
EP-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP disclosed