SCHEMBL3656006

SCHEMBL3656006

CC(C)CC(C(=O)O)c1cc(NCCCC(C)Cc2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.59
PSEN2 P49810 3/20 0.59
APH1B Q8WW43 3/20 0.59
NCSTN Q92542 3/20 0.59
APH1A Q96BI3 3/20 0.59
PSENEN Q9NZ42 3/20 0.59
PPARA Q07869 3/20 0.40
APP P05067 1/20 0.40
FFAR1 O14842 2/20 0.36
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
GCGR P47871 5/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 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
SCHEMBL3657611 0.93 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3655197 0.86 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3659242 0.86 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3656578 0.84 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3655823 0.83 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3651166 0.83 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3651364 0.83 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3656017 0.83 RXRA (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3651361 0.81 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4542309 0.80 PSEN1 (0.73) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212277-A1 AMINE LINKED MODULATORS OF Y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2010-08-04 EP disclosed
EP-2209764-A1 GSM INTERMEDIATES Janssen Pharmaceutica, N.V. (BE) 2010-07-28 EP disclosed
WO-2009052341-A1 GSM INTERMEDIATES JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed
WO-2009052350-A1 AMINE LINKED MODULATORS OF Y-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed