SCHEMBL4611206

SCHEMBL4611206

CCCc1ccc(NC(=O)N(C)c2cccc(-c3ccc(C=C(C(=O)O)c4ccccc4)cc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
SENP1 Q9P0U3 2/20 0.41
LTB4R2 Q9NPC1 1/20 0.40
AOC3 Q16853 2/20 0.39
NR1H4 Q96RI1 1/20 0.39
AKR1C1 Q04828 4/20 0.38
AKR1C2 P52895 3/20 0.38
AKR1C3 P42330 2/20 0.38
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
UBE2M P61081 1/20 0.36

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
SCHEMBL4611203 1.00 PTGS2 (0.44) PTGS2MEN1KMT2APOLBSENP1
SCHEMBL4611459 0.87 CYP3A4 (0.42) MEN1KMT2ASENP1AOC3NR1H4
SCHEMBL4611463 0.87 CYP3A4 (0.42) MEN1KMT2ASENP1AOC3NR1H4
SCHEMBL2085860 0.84 KDM4E (0.46) LTB4R2AOC3NR1H4AKR1C2AKR1C3
SCHEMBL2085859 0.84 KDM4E (0.46) LTB4R2AOC3NR1H4AKR1C2AKR1C3
SCHEMBL2083354 0.82 FFAR1 (0.50) LTB4R2AOC3
SCHEMBL2086580 0.81 NR1H4 (0.43) NR1H4
SCHEMBL2086581 0.81 NR1H4 (0.43) NR1H4
SCHEMBL4217637 0.80 SENP1 (0.41) POLBSENP1LTB4R2AOC3KDR
SCHEMBL4217628 0.80 SENP1 (0.41) POLBSENP1LTB4R2AOC3KDR

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