SCHEMBL2171471

SCHEMBL2171471

NC(=O)CCc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.65
ACACB O00763 4/20 0.51
PNLIP P16233 6/20 0.45
TTR P02766 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL2170617 0.89 FFAR1 (0.58) FFAR1ACACBPNLIPTTR
SCHEMBL2171661 0.84 FFAR1 (0.53) FFAR1
SCHEMBL4094627 0.80 CDK8 (0.55)
SCHEMBL12667945 0.79 FFAR1 (1.00) FFAR1TTR
SCHEMBL9261338 0.77 FFAR1 (0.57) FFAR1ACACBPNLIPTTRMAPT
SCHEMBL1990535 0.77 CYP2C9 (0.57) FFAR1
SCHEMBL3393678 0.75 PYGL (0.57) FFAR1
SCHEMBL8776929 0.74 PDE7A (0.55) FFAR1ACACB
SCHEMBL15517814 0.74 PIK3CA (0.47) MAPT
SCHEMBL12806601 0.74 FFAR1 (0.52) FFAR1ACACBTTRMAPT

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