SCHEMBL2853893

SCHEMBL2853893

CC[C@@](Cc1ccc(-c2cccc(CNCC(=O)c3ccccc3)c2)cc1)(Nc1ccccc1C(=O)c1ccccc1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
BCL2 P10415 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
AOC3 Q16853 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PPARG P37231 4/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MEP1B Q16820 1/20 0.33
KDM4E B2RXH2 1/20 0.33
AGTR1 P30556 1/20 0.33
RAB9A P51151 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
SCHEMBL6156376 0.88 HDAC1 (0.36) HDAC1FNTAFNTBPGGT1BLIPG
SCHEMBL2856235 0.88 HDAC1 (0.36) HDAC1FNTAFNTBPGGT1BLIPG
SCHEMBL6155061 0.80 CTSK (0.42) HDAC1FNTAFNTBPGGT1BBCL2
SCHEMBL6155065 0.80 CTSK (0.42) HDAC1FNTAFNTBPGGT1BBCL2
SCHEMBL2849799 0.77 PPARG (0.58) PPARG
SCHEMBL2847847 0.77 PPARG (0.58) PPARG
SCHEMBL2849808 0.77 PPARG (0.58) PPARG
SCHEMBL6156263 0.77 PPARG (0.48) PPARG
SCHEMBL2853890 0.77 PPARG (0.48) PPARG
SCHEMBL2851886 0.76 PNPLA2 (0.39) AOC3PPARGFFAR1

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