SCHEMBL4969418

SCHEMBL4969418

COc1cccc(CCC(=O)N(C)Cc2cccc(-c3ccc(CCC(=O)O)cc3OCCCC(F)(F)F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.45
KCNH2 Q12809 3/20 0.44
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B2 P37059 2/20 0.41
RORC P51449 1/20 0.40
TSPO P30536 1/20 0.40
CHEK1 O14757 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
SCHEMBL4970657 0.91 KCNH2 (0.42) FFAR1KCNH2MEN1ALDH1A1KMT2A
SCHEMBL4972590 0.90 PPARA (0.43) FFAR1KCNH2MEN1ALDH1A1KMT2A
SCHEMBL4970602 0.88 FFAR1 (0.43) FFAR1KCNH2
SCHEMBL4971865 0.87 FFAR1 (0.56) FFAR1
SCHEMBL4970094 0.85 FFAR1 (0.42) FFAR1
SCHEMBL4971788 0.84 FFAR1 (0.58) FFAR1HSD17B2TSPO
SCHEMBL4611227 0.82 KCNH2 (0.45) FFAR1KCNH2MEN1ALDH1A1KMT2A
SCHEMBL4970904 0.82 MEN1 (0.46) FFAR1MEN1ALDH1A1KMT2ABCHE
SCHEMBL4968734 0.81 FFAR1 (0.47) FFAR1
SCHEMBL4970375 0.80 FFAR1 (0.48) FFAR1MEN1KMT2AHSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781274-B1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE RECEPTORS OF PPAR TYPE AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-11-05 EP claimed
EP-1781274-B1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE RECEPTORS OF PPAR TYPE AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-11-05 EP disclosed
EP-1781274-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE RECEPTORS OF PPAR TYPE AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-05-09 EP disclosed
WO-2006018325-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE RECEPTORS OF PPAR TYPE AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-02-23 WO disclosed