SCHEMBL2847595

SCHEMBL2847595

CCCCN(Cc1ccc(CC(=O)OC)cc1-c1ccc(C(F)(F)F)cc1)[C@H]1CC[C@H](C(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
PTGDR2 Q9Y5Y4 4/20 0.37
GCGR P47871 4/20 0.36
GIPR P48546 4/20 0.36
GLP1R P43220 2/20 0.36
TBXA2R P21731 1/20 0.35
PTGDR Q13258 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MTTP P55157 1/20 0.34
S1PR1 P21453 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
PPARG P37231 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
SCHEMBL2847594 1.00 SLC6A2 (0.38) SLC6A2SLC6A4PSEN1PSEN2APH1B
SCHEMBL7797592 0.91 PSEN1 (0.48) SLC6A2SLC6A4PSEN1PSEN2APH1B
SCHEMBL2851691 0.81 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2851687 0.81 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7804145 0.73 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2844081 0.73 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2842734 0.72 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597184 0.71 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2848166 0.71 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2844689 0.70 GCGR (0.41) GCGRGIPRGLP1RPDK2

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