SCHEMBL4612592

SCHEMBL4612592

CC(Cc1ccc(-c2cccc(N(C)C(=O)Nc3cccc(Oc4ccccc4)c3)c2)c(OCc2cccc(C(F)(F)F)c2)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
PPIA P62937 1/20 0.42
FFAR1 O14842 2/20 0.42
KIFC1 Q9BW19 2/20 0.41
SLC1A5 Q15758 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
TP53 P04637 1/20 0.39
GPR34 Q9UPC5 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAOB P27338 1/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 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
SCHEMBL4610576 0.89 FFAR4 (0.51) PTGER1PTGER4PTGER3PTGER2PPIA
SCHEMBL2085323 0.88 FFAR4 (0.44) PPIAFFAR1SLC1A5RXRARXRB
SCHEMBL2085429 0.84 FFAR4 (0.51) FFAR1RXRARXRBRXRGS1PR1
SCHEMBL2081667 0.76 FFAR1 (0.49) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL4612420 0.76 PTGER1 (0.43) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL2084954 0.71 FFAR4 (0.51) FFAR1KIFC1RXRARXRBRXRG
SCHEMBL4974639 0.70 KMT2A (0.46) FFAR1RXRARXRBRXRGMRGPRX4
SCHEMBL4970681 0.70 FFAR4 (0.52) FFAR1RXRARXRBRXRGMAOB
SCHEMBL20401478 0.70 TP53 (0.54) TP53RXFP1
SCHEMBL4969467 0.69 MEN1 (0.54) FFAR1RXRARXRBRXRGMAOB

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-1781297-B1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-10-15 EP claimed