SCHEMBL17165355

SCHEMBL17165355

O=CC(O)c1ccc(Cl)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
APP P05067 1/20 0.38
S1PR3 Q99500 4/20 0.37
S1PR1 P21453 2/20 0.37
FFAR1 O14842 1/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
KMO O15229 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
KCNH2 Q12809 1/20 0.35
GPR139 Q6DWJ6 3/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL8149369 0.85 MDM2 (0.43) S1PR3S1PR1CES2CES1KMO
SCHEMBL12498031 0.82 ALDH1A1 (0.43) SLC6A2SLC6A4SLC6A3KCNH2TSHR
SCHEMBL30124887 0.82 CES2 (0.50) APPS1PR3S1PR1CES2CES1
SCHEMBL19555328 0.79 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17165350 0.79 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27753244 0.78 APP (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20722071 0.78 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3973135 0.78 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL22394857 0.76 SLC6A3 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1712779 0.76 HDAC3 (0.42) CES2CES1

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-3129025-A1 PROCESS FOR THE MANUFACTURING OF MEDICAMENTS Genentech, Inc. (US) 2017-02-15 EP disclosed
WO-2015154674-A1 PROCESS FOR THE MANUFACTURING OF MEDICAMENTS GENENTECH, INC. (US) 2015-10-15 WO disclosed