SCHEMBL7090409

SCHEMBL7090409

O=C(O)CC(=O)CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.61
MMP12 P39900 1/20 0.60
PLAAT3 P53816 1/20 0.55
PLAAT5 Q96KN8 1/20 0.55
PLAAT2 Q9NWW9 1/20 0.55
PLAAT4 Q9UL19 1/20 0.55
PDPK1 O15530 1/20 0.52
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
FFAR4 Q5NUL3 2/20 0.48
TAAR1 Q96RJ0 1/20 0.47
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
PPARA Q07869 1/20 0.45
SRD5A2 P31213 1/20 0.45
F2RL1 P55085 1/20 0.45

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
SCHEMBL7332151 0.87 FFAR1 (0.57) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL27602690 0.87 PTPN1 (0.57) FFAR1MMP12PLAAT3PLAAT5PLAAT2
SCHEMBL117230 0.85 FFAR1 (0.73) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL27689330 0.81 FFAR4 (0.60) FFAR1MMP12HDAC1HDAC8FFAR4
SCHEMBL23918813 0.81 IAPP (0.53) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1294972 0.81 TAAR1 (0.58) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL408215 0.81 PTPN1 (0.53) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5643123 0.80 MMP12 (0.66) FFAR1MMP12PLAAT3PLAAT5PLAAT2
SCHEMBL1454387 0.79 FFAR1 (0.60) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5642549 0.79 CYP4F2 (0.51) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4

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
CN-101952275-B Modulators for amyloid protein beta HOFFMANN LA ROCHE 2014-06-18 CN disclosed
CN-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 CN disclosed
CN-101952275-A Modulators for amyloid beta HOFFMANN LA ROCHE 2011-01-19 CN disclosed
WO-2003076440-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS CALCITONIN AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-18 WO disclosed