SCHEMBL2171671

SCHEMBL2171671

CCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.68
ALDH1A1 P00352 3/20 0.68
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
MTNR1A P48039 1/20 0.62
MTNR1B P49286 1/20 0.62
FNTA P49354 4/20 0.62
FNTB P49356 4/20 0.62
MAPT P10636 1/20 0.58
TSHR P16473 3/20 0.58
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GAA P10253 1/20 0.58
RNF4 P78317 1/20 0.55
CYP3A4 P08684 1/20 0.54
PNLIP P16233 1/20 0.52

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
SCHEMBL4621713 0.89 KMT2A (0.77) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL2170925 0.85 MTNR1B (0.73) L3MBTL1ALDH1A1MEN1KMT2AMTNR1A
SCHEMBL14447211 0.85 MTNR1A (0.64) L3MBTL1ALDH1A1MEN1KMT2AMTNR1A
SCHEMBL21392968 0.85 RNF4 (0.76) L3MBTL1ALDH1A1MEN1KMT2AFNTA
SCHEMBL2172248 0.85 MTNR1A (0.64) L3MBTL1ALDH1A1MEN1KMT2AMTNR1A
SCHEMBL2173035 0.85 MTNR1A (0.73) L3MBTL1ALDH1A1MEN1KMT2AMTNR1A
SCHEMBL2169725 0.85 MTNR1A (0.78) L3MBTL1ALDH1A1KMT2AMTNR1AMTNR1B
SCHEMBL2171478 0.84 ESRRA (0.64) MAPTTSHRCYP3A4PNLIP
SCHEMBL4747363 0.83 ALDH1A1 (0.64) L3MBTL1ALDH1A1MEN1KMT2AFNTA
SCHEMBL2170997 0.83 MTNR1A (0.62) L3MBTL1ALDH1A1MEN1KMT2AMTNR1A

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-2349252-A2 SYNERGISTIC COMBINATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS Exelixis, Inc. (US) 2011-08-03 EP disclosed
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed