SCHEMBL27684166

SCHEMBL27684166

CCCC(C(=O)O)c1cc(-c2ccccc2)cc(OCC2CC2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
APP P05067 1/20 0.39
RXRA P19793 1/20 0.36
CNR2 P34972 3/20 0.36
CNR1 P21554 1/20 0.36
RBP4 P02753 7/20 0.35
TTR P02766 7/20 0.35
FFAR4 Q5NUL3 2/20 0.35
PDE4D Q08499 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
SYK P43405 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL27684238 0.84 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27684239 0.84 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27702994 0.84 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27962194 0.78 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27684179 0.75 FFAR4 (0.41) RXRACNR2CNR1RBP4TTR
SCHEMBL3992666 0.73 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3567603 0.73 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3567610 0.73 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3568977 0.73 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6475583 0.72 PSEN1 (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101084178-B (biphenyl) carboxylic acids and derivatives thereof CELLZOME AG 2012-03-28 CN claimed
CN-101084178-A (Biphenyl) carboxylic acids and derivatives thereof CELLZOME AG (DE) 2007-12-05 CN claimed
CN-101084178-B (biphenyl) carboxylic acids and derivatives thereof CELLZOME AG 2012-03-28 CN disclosed
CN-101084178-A (Biphenyl) carboxylic acids and derivatives thereof CELLZOME AG (DE) 2007-12-05 CN disclosed