SCHEMBL5501224

SCHEMBL5501224

COC(=O)C(C)(C)CCCc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccc(Cl)cc3)C[C@H]2C)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.67
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL4117760 1.00 PTGDR2 (0.67) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL4118694 0.95 PTGDR2 (0.69) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL4124205 0.91 PTGDR2 (0.73) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL4114779 0.91 PTGDR2 (0.55) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL4135150 0.91 PTGDR2 (0.65) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL4122705 0.90 PTGDR2 (0.73) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL4117897 0.89 PTGDR2 (0.67) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL4124905 0.89 PTGDR2 (0.59) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL4129787 0.89 PTGDR2 (0.66) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL4129788 0.89 PTGDR2 (0.66) PTGDR2MEN1KMT2ALMNAPOLB

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-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed