SCHEMBL8064602

SCHEMBL8064602

CCc1ccc(-c2ccc(Cl)cc2F)cc1CC.CN[C@H](CS)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.40
PSEN1 P49768 2/20 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
MME P08473 3/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
CNR1 P21554 1/20 0.37
AKR1C3 P42330 6/20 0.37
AKR1C2 P52895 6/20 0.37
CTSA P10619 1/20 0.36
PTGS2 P35354 3/20 0.35
PTGS1 P23219 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FABP2 P12104 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
SCHEMBL8072952 1.00 APP (0.40) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL8079616 0.90 MEN1 (0.42) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL8064698 0.90 MEN1 (0.42) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL8075216 0.85 ACMSD (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8074144 0.85 ACMSD (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8065580 0.85 AKR1C3 (0.45) APPAKR1C3AKR1C2
SCHEMBL8080386 0.85 AKR1C3 (0.49) APPAKR1C3AKR1C2CTSAPTGS2
SCHEMBL8064468 0.85 CTSA (0.36) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL8078295 0.84 SLC1A3 (0.39) MMESLC1A3SLC1A2SLC1A1AKR1C3
SCHEMBL8073803 0.84 SLC1A3 (0.39) MMESLC1A3SLC1A2SLC1A1AKR1C3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US disclosed