SCHEMBL5168403

SCHEMBL5168403

C=C(C)CC(C(=O)O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.41
PSEN2 P49810 3/20 0.41
APH1B Q8WW43 3/20 0.41
NCSTN Q92542 3/20 0.41
APH1A Q96BI3 3/20 0.41
PSENEN Q9NZ42 3/20 0.41
BACE1 P56817 1/20 0.40
AKR1C3 P42330 4/20 0.39
AKR1C2 P52895 4/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
FFAR1 O14842 3/20 0.36
CTSA P10619 1/20 0.36
APP P05067 2/20 0.36
PDPK1 O15530 1/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 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
SCHEMBL5204881 0.85 AKR1C3 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5168875 0.83 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5167536 0.83 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5170727 0.82 MMP2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5170546 0.81 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5168620 0.79 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597051 0.76 AKR1C3 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491839 0.74 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1843300 0.71 AKR1C3 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12590441 0.71 PSEN1 (0.41) 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
EP-1773315-A1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Limited (GB) 2007-04-18 EP disclosed
WO-2006008558-A1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER’S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-01-26 WO disclosed