SCHEMBL6472107

SCHEMBL6472107

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.79
PSEN2 P49810 2/20 0.79
APH1B Q8WW43 2/20 0.79
NCSTN Q92542 2/20 0.79
APH1A Q96BI3 2/20 0.79
PSENEN Q9NZ42 2/20 0.79
CTSK P43235 8/20 0.53
CTSS P25774 7/20 0.53
CTSL P07711 5/20 0.53
CTSB P07858 3/20 0.53
APP P05067 1/20 0.50
PTPN5 P54829 2/20 0.48
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
HDAC4 P56524 1/20 0.46
FFAR1 O14842 1/20 0.46
TP53 P04637 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45

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
SCHEMBL491543 0.90 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491599 0.88 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491340 0.88 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491331 0.88 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491938 0.88 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5789764 0.87 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5792099 0.87 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5791263 0.87 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6475463 0.87 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4039064 0.86 CTSK (0.67) 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