SCHEMBL5199653

SCHEMBL5199653

CCCCCCCC(=O)N(C)Cc1cccc(Sc2ccc(CCC(=O)O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
PPARG P37231 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
FFAR1 O14842 3/20 0.41
FFAR4 Q5NUL3 1/20 0.41
FOLH1 Q04609 1/20 0.41
BCHE P06276 3/20 0.40
ACHE P22303 3/20 0.40
AOC3 Q16853 1/20 0.40

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 0.84 AOC3 (0.53) KMT2AFFAR1FFAR4AOC3
SCHEMBL4968446 0.78 FFAR1 (0.48) KMT2AFFAR1FFAR4FOLH1AOC3
SCHEMBL4970077 0.77 FAAH (0.46) KMT2AFFAR1FFAR4FOLH1AOC3
SCHEMBL4970822 0.77 RARB (0.46) KMT2AFFAR1FFAR4
SCHEMBL1401140 0.76 FFAR1 (0.45) FFAR1FFAR4
SCHEMBL13639173 0.76 NPC1 (0.53) KMT2ANPC1RAB9AFOLH1BCHE
SCHEMBL4970065 0.76 FFAR1 (0.46) KMT2AFFAR1FFAR4FOLH1AOC3
SCHEMBL4969532 0.75 FFAR1 (0.44) KMT2AFFAR1FFAR4FOLH1AOC3
SCHEMBL4969426 0.75 FFAR1 (0.50) PPARGFFAR1FFAR4BCHEACHE
SCHEMBL4970418 0.75 FFAR1 (0.42) KMT2APPARGFFAR1FFAR4FOLH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814871-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-08-08 EP disclosed
WO-2006053791-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-05-26 WO disclosed