SCHEMBL2859541

SCHEMBL2859541

CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(C[C@@](Cc3ccc4ccccc4c3)(Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.36
PTGS2 P35354 1/20 0.35
CASR P41180 1/20 0.35
EPHX1 P07099 1/20 0.35
CNR2 P34972 3/20 0.34
MC4R P32245 1/20 0.34
MC5R P33032 1/20 0.34
MC3R P41968 1/20 0.34
MC1R Q01726 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
PPARG P37231 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
NAAA Q02083 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL2855300 0.95 LTB4R2 (0.38) LTB4R2PTGS2PPARGNAAAPTPN1
SCHEMBL2847841 0.93 LTB4R2 (0.38) LTB4R2PTGS2CNR2PPARGNAAA
SCHEMBL2849456 0.92 LTB4R2 (0.37) LTB4R2PTGS2CNR2PPARGNAAA
SCHEMBL2854102 0.92 LTB4R2 (0.37) LTB4R2PTGS2CNR2PPARGNAAA
SCHEMBL2858449 0.91 ROCK2 (0.38) PTGS2
SCHEMBL2849758 0.90 LTB4R2 (0.36) LTB4R2PTGS2PPARGNAAAPTPN1
SCHEMBL2854523 0.87 LTB4R2 (0.34) LTB4R2PTGS2PPARGNAAAPTPN1
SCHEMBL2851855 0.84 TACR2 (0.38) CASR
SCHEMBL2852386 0.84 PPARG (0.45) PPARG
SCHEMBL2859539 0.82 PPARG (0.43) PPARG

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-1575911-B1 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2010-01-13 EP claimed