SCHEMBL1400847

SCHEMBL1400847

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
GPR88 Q9GZN0 1/20 0.32
PDK2 Q15119 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
FFAR1 O14842 4/20 0.31
HTR2C P28335 5/20 0.31
SLC6A4 P31645 5/20 0.31
PPARD Q03181 2/20 0.31
FFAR4 Q5NUL3 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL68525 0.83 PTGER1 (0.33) PTGER1PTGER4PTGER3PTGER2MMP9
SCHEMBL1400849 0.83 PPARG (0.37) PTGER1PTGER4PTGER3PTGER2PDK2
SCHEMBL5198183 0.83 RXRA (0.41) PTGER1PTGER4PTGER3PTGER2S1PR1
SCHEMBL5198621 0.81 KDM4E (0.43) PPARD
SCHEMBL1400796 0.80 PDK2 (0.32) PDK2HTR2CSLC6A4PPARDHTR2A
SCHEMBL1400797 0.80 PDK2 (0.32) PDK2HTR2CSLC6A4PPARDHTR2A
SCHEMBL2843431 0.70 HTR2C (0.43) HTR2CSLC6A4
SCHEMBL67070 0.69 RXRA (0.44) S1PR1S1PR3S1PR5FFAR4
SCHEMBL4968634 0.67 AKR1C3 (0.49) PTGER1PTGER4PTGER3PTGER2
SCHEMBL4968622 0.67 AKR1C3 (0.49) PTGER1PTGER4PTGER3PTGER2

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