SCHEMBL5204708

SCHEMBL5204708

C=CCC(CC=C)(C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(-c2ccc(C(F)(F)F)cc2)c1.CCCC(CCC)(C(=O)O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
APP P05067 1/20 0.39
BACE1 P56817 1/20 0.34
PTGDR2 Q9Y5Y4 4/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
CYP2C8 P10632 1/20 0.33
ALOX5 P09917 1/20 0.33
KDM1A O60341 1/20 0.33
LTB4R Q15722 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
MMP2 P08253 1/20 0.32

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
SCHEMBL4596949 0.84 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4598147 0.80 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5168957 0.70 APP (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597367 0.67 APP (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597725 0.64 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5170546 0.63 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5168875 0.63 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5204881 0.62 AKR1C3 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8025260 0.61 KIF11 (0.65) ALDH1A1TSHRBACE1
SCHEMBL7769347 0.61 ALDH1A1 (1.00) ALDH1A1TSHR

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