SCHEMBL4610356

SCHEMBL4610356

COc1cccc(COc2cc(CCC(=O)O)ccc2-c2cccc(N(C)C(=O)NCCc3ccc(-c4ccccc4)cc3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 18/20 0.51
FFAR4 Q5NUL3 4/20 0.47
AKR1B1 P15121 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45

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
SCHEMBL2083300 0.97 FFAR1 (0.50) FFAR1FFAR4MTNR1AMTNR1B
SCHEMBL2085300 0.95 FFAR1 (0.45) FFAR1FFAR4MTNR1AMTNR1B
SCHEMBL2085155 0.91 FFAR1 (0.49) FFAR1FFAR4AKR1B1MTNR1AMTNR1B
SCHEMBL4612420 0.89 PTGER1 (0.43) FFAR1MTNR1AMTNR1B
SCHEMBL2085517 0.87 FFAR1 (0.52) FFAR1FFAR4MTNR1AMTNR1B
SCHEMBL4611227 0.85 KCNH2 (0.45) FFAR1
SCHEMBL2084534 0.85 FFAR1 (0.49) FFAR1FFAR4
SCHEMBL2085568 0.82 PTGER1 (0.45) FFAR1FFAR4MTNR1AMTNR1B
SCHEMBL4971788 0.81 FFAR1 (0.58) FFAR1FFAR4AKR1B1
SCHEMBL2081667 0.81 FFAR1 (0.49) FFAR1FFAR4

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