SCHEMBL14040887

SCHEMBL14040887

C=C(O)CCc1ccc(-c2cccc(N(C)C(=O)NCCCCC)c2)c(NCc2ccc(F)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.37
FAAH O00519 5/20 0.37
PLK1 P53350 3/20 0.37
HPGD P15428 2/20 0.35
LTB4R2 Q9NPC1 2/20 0.34
CTNNB1 P35222 1/20 0.33
TCF7L2 Q9NQB0 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
SCHEMBL12935186 0.94 FAAH (0.40) PTGS2FAAHPLK1HPGD
SCHEMBL12935202 0.93 PTGS2 (0.41) PTGS2FAAHPLK1HPGD
Hydrochloric Acid SCHEMBL2085142 0.93 FAAH (0.40) PTGS2FAAHPLK1HPGD
Hydrochloric Acid SCHEMBL2083163 0.92 PTGS2 (0.41) PTGS2FAAHPLK1
SCHEMBL2084180 0.91 CNR2 (0.40) PTGS2FAAHPLK1HPGD
SCHEMBL2083901 0.90 CNR2 (0.39) PTGS2FAAHPLK1HPGD
SCHEMBL12935169 0.88 FFAR1 (0.45) PTGS2FAAHPLK1HPGDLTB4R2
Hydrochloric Acid SCHEMBL2085510 0.87 FFAR1 (0.44) PTGS2FAAHPLK1HPGDLTB4R2
SCHEMBL12935191 0.87 FFAR1 (0.44) PTGS2FAAHPLK1HPGD
Hydrochloric Acid SCHEMBL2085709 0.86 FFAR1 (0.43) PTGS2FAAHPLK1HPGD

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 disclosed