SCHEMBL2170617

SCHEMBL2170617

NC(=O)CCc1ccc(Oc2ccccc2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.58
RHEB Q15382 1/20 0.49
ACACB O00763 2/20 0.48
FFAR4 Q5NUL3 3/20 0.47
PNLIP P16233 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
TTR P02766 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
SCHEMBL2171471 0.89 FFAR1 (0.65) FFAR1ACACBPNLIPTTR
SCHEMBL4094627 0.80 CDK8 (0.55)
SCHEMBL2173032 0.79 FFAR1 (0.74) FFAR1FFAR4
SCHEMBL10088502 0.77 TTR (0.70) FFAR1RHEBPNLIPMRGPRX4TTR
SCHEMBL30851410 0.77 DPP4 (0.56) FFAR1TTR
SCHEMBL3393678 0.75 PYGL (0.57) FFAR1
SCHEMBL13218234 0.75 ALDH1A1 (0.53) FFAR1ACACBPNLIPMRGPRX4TTR
SCHEMBL27486876 0.75 PARP10 (0.59) RHEBPNLIPMRGPRX4TTR
SCHEMBL16316319 0.74 TTR (0.51) FFAR1TTR
SCHEMBL2352325 0.74 FFAR1 (0.76) FFAR1FFAR4

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