SCHEMBL7522086

SCHEMBL7522086

O=C(O)CC(C=C(Cl)Cl)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.43
CTSA P10619 3/20 0.38
PRNP P04156 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNB1 Q02641 1/20 0.37
CACNA1C Q13936 1/20 0.37
HTT P42858 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL7524496 0.84 GABBR2 (0.46) FFAR1CTSAKDM4EGABBR2GABBR1
SCHEMBL7521043 0.83 FFAR1 (0.44) FFAR1CTSAKDM4EALDH1A1CACNA2D1
SCHEMBL7528945 0.83 FFAR1 (0.47) FFAR1CTSACACNA2D1CACNA1BCACNB1
SCHEMBL7528033 0.81 CTSA (0.42) FFAR1CTSAHDAC4HDAC7HDAC5
SCHEMBL7526475 0.81 FFAR1 (0.39) FFAR1CTSAALDH1A1GABBR2GABBR1
SCHEMBL7527577 0.80 FFAR1 (0.48) FFAR1CTSALMNA
SCHEMBL7522581 0.78 ALDH1A1 (0.43) FFAR1ALDH1A1HTTLMNA
SCHEMBL7522384 0.74 EEF2K (0.42) CTSAALDH1A1
SCHEMBL7531633 0.74 S1PR2 (0.54) KDM4EALDH1A1LMNACYP3A4ADORA3
SCHEMBL68253 0.74 FFAR1 (0.58) FFAR1NPSR1ALDH1A1CACNA2D1CACNA1B

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
EP-1181267-A1 HALOGEN COMPOUNDS Bayer Aktiengesellschaft (DE) 2002-02-27 EP disclosed
WO-2000071500-A1 HALOGEN COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2000-11-30 WO disclosed