SCHEMBL8772772

SCHEMBL8772772

CC(O)C(Cc1ccc(Cl)cc1)c1ccc(-c2ccccc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.43
FDFT1 P37268 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
GRIA4 P48058 8/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CNR1 P21554 4/20 0.40
MME P08473 2/20 0.40
CNR2 P34972 2/20 0.40
SDCBP O00560 1/20 0.39
SDC2 P34741 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL8619570 0.87 APEX1 (0.43) APEX1FDFT1NPSR1GRIA4PPARG
SCHEMBL8772670 0.84 FDFT1 (0.56) FDFT1PPARGPPARACNR1CNR2
SCHEMBL3371553 0.80 CYP1A2 (0.51) CNR1CNR2
SCHEMBL3371556 0.80 CYP1A2 (0.51) CNR1CNR2
SCHEMBL8620454 0.76 FDFT1 (0.81) FDFT1CNR1MMECNR2
SCHEMBL8199320 0.75 KMT2A (0.46) FDFT1PPARGPPARACNR1CNR2
SCHEMBL8623146 0.75 KMT2A (0.46) FDFT1PPARGPPARACNR1CNR2
SCHEMBL8204716 0.75 ACACB (0.49) FDFT1CNR1CNR2
SCHEMBL11829277 0.74 PPARG (0.52) NPSR1GRIA4PPARGPPARAMME
SCHEMBL8624732 0.73 FDFT1 (0.41) FDFT1CNR1CNR2MAPT

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-0611749-B1 Substituted amic acid derivatives useful for treatment of arteriosclerosis BANYU PHARMA CO LTD (JP) 1997-10-22 EP disclosed