SCHEMBL20404233

SCHEMBL20404233

CO[C@@H]1CCCC(OCc2ccccc2)[C@H]1O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.56
PSEN2 P49810 4/20 0.56
APH1B Q8WW43 4/20 0.56
NCSTN Q92542 4/20 0.56
APH1A Q96BI3 4/20 0.56
PSENEN Q9NZ42 4/20 0.56
SLC18A3 Q16572 1/20 0.48
KCNA5 P22460 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C19 P33261 1/20 0.41
MERTK Q12866 4/20 0.40
AXL P30530 2/20 0.39

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
SCHEMBL10303682 1.00 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16138553 1.00 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2126484 1.00 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30926244 0.84 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14180116 0.81 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16195039 0.81 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16194843 0.81 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16194931 0.81 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20995912 0.81 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25402397 0.80 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3427738-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2021-12-01 EP disclosed
EP-3427738-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2019-01-16 EP disclosed
EP-3141252-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2018-07-25 EP disclosed