SCHEMBL2851691

SCHEMBL2851691

COC(=O)Cc1ccc(CN[C@H]2CC[C@H](C(C)(C)C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
TEAD1 P28347 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.38
CYP19A1 P11511 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
APOB P04114 1/20 0.36
MTTP P55157 1/20 0.36
GCGR P47871 3/20 0.36
GIPR P48546 3/20 0.36
PDK2 Q15119 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL2851687 1.00 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7804145 0.82 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2847594 0.81 SLC6A2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2847595 0.81 SLC6A2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL151862 0.78 PTGDR2 (0.58) PTGDR2CYP3A4
SCHEMBL2842734 0.77 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597184 0.76 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2878949 0.76 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2848166 0.76 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2844332 0.76 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed