SCHEMBL4611463

SCHEMBL4611463

CCCc1ccc(NC(=O)N(C)c2cccc(-c3ccc(C=C(Cc4ccccc4)C(=O)O)cc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
AOC3 Q16853 2/20 0.40
SENP1 Q9P0U3 2/20 0.38
NR1H4 Q96RI1 3/20 0.38
WNT3A P56704 1/20 0.37
RORC P51449 4/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NLRP3 Q96P20 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL4611459 1.00 CYP3A4 (0.42) CYP3A4CYP2C9AOC3SENP1NR1H4
SCHEMBL4611206 0.87 PTGS2 (0.44) CYP3A4CYP2C9AOC3SENP1NR1H4
SCHEMBL4611203 0.87 PTGS2 (0.44) CYP3A4CYP2C9AOC3SENP1NR1H4
SCHEMBL4215721 0.84 PNPLA2 (0.43) AOC3SENP1MEN1KMT2A
SCHEMBL2085860 0.82 KDM4E (0.46) AOC3NR1H4ITGB1BCHE
SCHEMBL2085859 0.82 KDM4E (0.46) AOC3NR1H4ITGB1BCHE
SCHEMBL4213623 0.81 KDR (0.42) AOC3SENP1MEN1KMT2A
SCHEMBL2083354 0.81 FFAR1 (0.50) AOC3ITGB1
SCHEMBL2087012 0.80 AKR1B10 (0.45) SENP1NR1H4BCHEACHE
SCHEMBL2087010 0.80 AKR1B10 (0.45) SENP1NR1H4BCHEACHE

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 claimed