SCHEMBL2477146

SCHEMBL2477146

CCC(=Cc1cc(C(F)(F)F)ccc1[C@@H](C)OC[C@H]1CO1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 13/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
ALOX5 P09917 11/20 0.35
PPARG P37231 8/20 0.35
PTGES O14684 5/20 0.35
EPHX2 P34913 2/20 0.34
TSHR P16473 1/20 0.33
FFAR1 O14842 2/20 0.33

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
SCHEMBL2477143 1.00 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2477018 0.88 PPARG (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2477017 0.88 PPARG (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2476679 0.85 SRC (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2476683 0.85 SRC (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2481306 0.85 FFAR1 (0.35) TSHRFFAR1
SCHEMBL2481311 0.85 FFAR1 (0.35) TSHRFFAR1
SCHEMBL2481308 0.85 FFAR1 (0.35) TSHRFFAR1
SCHEMBL2672557 0.82 SLC6A2 (0.36) PPARGTSHRFFAR1
SCHEMBL2672556 0.82 SLC6A2 (0.36) PPARGTSHRFFAR1

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-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed