SCHEMBL2036020

SCHEMBL2036020

NC(=O)CCc1ccc(COc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.76
FFAR4 Q5NUL3 4/20 0.69
CES1 P23141 2/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
PARP10 Q53GL7 1/20 0.57

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
SCHEMBL2170636 0.95 FFAR1 (0.77) FFAR1FFAR4PARP10
SCHEMBL2772440 0.86 FFAR1 (1.00) FFAR1FFAR4
SCHEMBL434231 0.86 FFAR1 (0.59) FFAR1FFAR4CES1ALDH1A1MAPT
SCHEMBL2912575 0.86 FFAR1 (0.66) FFAR1FFAR4PARP10
SCHEMBL5037942 0.84 FFAR1 (0.75) FFAR1FFAR4PARP10
SCHEMBL2173032 0.83 FFAR1 (0.74) FFAR1FFAR4CES1PARP10
Benzyloxyphenylpropanoic Acid SCHEMBL1134648 0.81 FFAR1 (1.00) FFAR1FFAR4
SCHEMBL1744939 0.81 FFAR1 (1.00) FFAR1FFAR4
SCHEMBL1744943 0.81 FFAR1 (1.00) FFAR1FFAR4
SCHEMBL1747130 0.81 FFAR1 (1.00) 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
WO-2011076784-A2 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-30 WO disclosed