SCHEMBL13521963

SCHEMBL13521963

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2CS)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.48
SMN1; SMN2 Q16637 6/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 2/20 0.44
STAT3 P40763 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL13521861 0.90 MAPT (0.50) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL349218 0.88 CYP3A4 (0.46) PTGDR2SMN1; SMN2MAPTLMNAMEN1
SCHEMBL1943002 0.87 PTGDR2 (0.45) PTGDR2SMN1; SMN2MAPTLMNAMEN1
SCHEMBL348830 0.87 CYP3A4 (0.60) PTGDR2SMN1; SMN2MAPTLMNAMEN1
SCHEMBL350502 0.87 PTGDR2 (0.46) PTGDR2SMN1; SMN2MAPTLMNAMEN1
SCHEMBL347736 0.86 CYP3A4 (0.46) PTGDR2SMN1; SMN2MAPTLMNAMEN1
SCHEMBL348266 0.86 MAPT (0.47) PTGDR2SMN1; SMN2MAPTLMNAMEN1
SCHEMBL347633 0.85 CYP3A4 (0.46) PTGDR2SMN1; SMN2MAPTLMNAMEN1
SCHEMBL13521864 0.84 MAPT (0.48) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL349217 0.84 PTGDR2 (0.49) PTGDR2SMN1; SMN2MAPTLMNAMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed