SCHEMBL1401140

SCHEMBL1401140

CCCCCCCC(=O)N(C)CSc1cccc(-c2ccc(CCC(=O)O)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.45
FFAR4 Q5NUL3 5/20 0.43
LTB4R2 Q9NPC1 1/20 0.41
RARB P10826 6/20 0.40
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
PTGS2 P35354 1/20 0.39
AKR1B1 P15121 1/20 0.39

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
SCHEMBL4970598 0.83 AOC3 (0.53) FFAR1FFAR4
SCHEMBL1400886 0.82 KDM4E (0.39) LTB4R2PTGS2
SCHEMBL5199653 0.76 KMT2A (0.47) FFAR1FFAR4
SCHEMBL4972529 0.74 PTGER1 (0.43) FFAR1LTB4R2
SCHEMBL68745 0.74 FFAR1 (0.42) FFAR1FFAR4RARBRARARARG
SCHEMBL4971902 0.73 AOC3 (0.60) FFAR1FFAR4AKR1B1
SCHEMBL4971682 0.72 AOC3 (0.48)
SCHEMBL7338362 0.72 RARB (0.71) FFAR1FFAR4RARBRARARARG
SCHEMBL31270921 0.72 RARB (0.71) FFAR1FFAR4RARBRARARARG
SCHEMBL4970822 0.72 RARB (0.46) FFAR1FFAR4LTB4R2RARB

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