SCHEMBL6477508

SCHEMBL6477508

O=C(O)C(CCC(F)(F)F)c1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.54
PSEN2 P49810 2/20 0.54
APH1B Q8WW43 2/20 0.54
NCSTN Q92542 2/20 0.54
APH1A Q96BI3 2/20 0.54
PSENEN Q9NZ42 2/20 0.54
HDAC4 P56524 1/20 0.47
FFAR1 O14842 3/20 0.47
DHODH Q02127 1/20 0.45
KIF11 P52732 1/20 0.44
PTPN5 P54829 2/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
MGLL Q99685 1/20 0.43
F10 P00742 1/20 0.42
ACP3 P15309 1/20 0.42
PDPK1 O15530 1/20 0.41
S1PR5 Q9H228 1/20 0.41
SLC13A5 Q86YT5 1/20 0.41

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
SCHEMBL6472628 0.88 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6472632 0.88 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6472838 0.86 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6475463 0.85 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6476353 0.83 FFAR1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6472107 0.83 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597484 0.82 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6473844 0.81 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6270587 0.78 AKR1C3 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4876453 0.78 HDAC4 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A

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
WO-2005110963-A1 (BIPHENYL-3-YL)-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND THEIR USE IN THERAPY CELLZOME AG (DE) 2005-11-24 WO claimed
WO-2005110963-A1 (BIPHENYL-3-YL)-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND THEIR USE IN THERAPY CELLZOME AG (DE) 2005-11-24 WO disclosed