SCHEMBL2171467

SCHEMBL2171467

CC(C(N)=O)c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.57
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PNLIP P16233 9/20 0.45
APP P05067 1/20 0.45
F7 P08709 1/20 0.45
ACACB O00763 1/20 0.43
PTGS2 P35354 1/20 0.43
STK39 Q9UEW8 1/20 0.43

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
SCHEMBL2170612 0.89 FFAR1 (0.51) FFAR1PNLIPAPPACACBSTK39
SCHEMBL2171656 0.84 EPHX1 (0.49) FFAR1APPPTGS2
SCHEMBL23922346 0.81 FFAR1 (0.56) FFAR1MAPTNPSR1PNLIP
SCHEMBL10964062 0.78 FFAR1 (0.57) FFAR1F7ACACB
SCHEMBL607803 0.77 EPHX1 (0.58) APP
SCHEMBL7794207 0.77 EPHX1 (0.58) APP
SCHEMBL607802 0.77 EPHX1 (0.58) APP
SCHEMBL21620367 0.76 FFAR1 (0.65) FFAR1MAPTF7
SCHEMBL5673527 0.75 APP (0.53) APP
SCHEMBL30002874 0.75 APP (0.53) APP

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-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed
WO-2010045580-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS EXELIXIS, INC. (US) 2010-04-22 WO disclosed