SCHEMBL27809558

SCHEMBL27809558

COc1ccc(CCC(=O)O)cc1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.56
TP53 P04637 1/20 0.55
MDM2 Q00987 1/20 0.55
FFAR1 O14842 5/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
BCL2L1 Q07817 1/20 0.52
MCL1 Q07820 1/20 0.52
PLA2G4A P47712 1/20 0.51
FFAR2 O15552 1/20 0.50
TLR7 Q9NYK1 1/20 0.50

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
SCHEMBL9164207 0.86 AKT1 (0.55) FFAR4TP53MDM2FFAR1PPARD
SCHEMBL12451965 0.84 PPARA (0.56) FFAR4FFAR1PPARDPPARAPLA2G4A
SCHEMBL24021292 0.83 PPARA (0.62) FFAR4FFAR1PPARDPPARAPLA2G4A
SCHEMBL8819841 0.82 PPARA (0.58) FFAR4FFAR1PPARDPPARAPLA2G4A
SCHEMBL13956396 0.82 PPARA (0.55) FFAR4FFAR1PPARDPPARAPLA2G4A
SCHEMBL10836127 0.82 HDAC3 (0.54) FFAR1
SCHEMBL2090122 0.81 CA2 (0.57)
SCHEMBL17911568 0.81 FFAR1 (0.55) FFAR4FFAR1PPARDPPARAFFAR2
SCHEMBL8598302 0.81 FFAR1 (0.51) FFAR4FFAR1TLR7
SCHEMBL20909549 0.81 KDM4E (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102070426-B Method for synthesizing flocumafen intermediate NANTONG GONGCHENG FINE CHEMICAL CO LTD 2013-04-24 CN disclosed
CN-102070426-A Method for synthesizing flocumafen intermediate NANTONG GONGCHENG FINE CHEMICAL CO LTD 2011-05-25 CN disclosed