SCHEMBL5168620

SCHEMBL5168620

O=C(O)C(CC1CC1)c1cccc(-c2ccc(C(F)(F)F)cc2)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.48
PSEN2 P49810 3/20 0.48
APH1B Q8WW43 3/20 0.48
NCSTN Q92542 3/20 0.48
APH1A Q96BI3 3/20 0.48
PSENEN Q9NZ42 3/20 0.48
APP P05067 2/20 0.48
MTTP P55157 5/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
KLRK1 P26718 3/20 0.36
MICA Q29983 3/20 0.36
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
RAET1L Q5VY80 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
BACE1 P56817 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 0.83 AKR1C3 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5170727 0.82 MMP2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5167536 0.81 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5168875 0.81 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5170546 0.79 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5168403 0.79 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6473844 0.76 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4596191 0.76 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1201930 0.71 APP (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1203229 0.71 PSEN1 (0.64) 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