SCHEMBL7528945

SCHEMBL7528945

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.47
PPARG P37231 1/20 0.43
EEF2K O00418 2/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CACNA1A O00555 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNA1C Q13936 1/20 0.40
CTSA P10619 1/20 0.40
PDPK1 O15530 1/20 0.40
CNR2 P34972 1/20 0.40
ACP3 P15309 1/20 0.39

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
SCHEMBL7527577 0.85 FFAR1 (0.48) FFAR1EEF2KCTSA
SCHEMBL7517891 0.83 CACNA2D1 (0.46) FFAR1PPARGCES2CACNA2D1CACNA1B
SCHEMBL7522086 0.83 FFAR1 (0.43) FFAR1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL7526475 0.81 FFAR1 (0.39) FFAR1CTSA
SCHEMBL7524496 0.80 GABBR2 (0.46) FFAR1CTSA
SCHEMBL7521043 0.80 FFAR1 (0.44) FFAR1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL7522018 0.79 ALDH1A1 (0.41) FFAR1EEF2KCTSA
SCHEMBL7520247 0.78 ALDH1A1 (0.39) FFAR1EEF2KCTSA
SCHEMBL7485566 0.77 FFAR1 (0.56) FFAR1PPARGEEF2KCES2CES1
SCHEMBL29178241 0.75 FNTA (0.57) FFAR1PPARGEEF2KCES2CES1

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