SCHEMBL13935489

SCHEMBL13935489

COc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccc(CCC(=O)O)cc3)CC2C)cc1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.81
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67

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
SCHEMBL4123493 1.00 PTGDR2 (0.81) PTGDR2MEN1KMT2A
SCHEMBL4126934 1.00 PTGDR2 (0.81) PTGDR2MEN1KMT2A
SCHEMBL14502239 1.00 PTGDR2 (0.81) PTGDR2MEN1KMT2A
SCHEMBL4128803 0.92 PTGDR2 (0.77) PTGDR2MEN1KMT2A
SCHEMBL14502240 0.92 PTGDR2 (0.77) PTGDR2MEN1KMT2A
SCHEMBL4128800 0.92 PTGDR2 (0.77) PTGDR2MEN1KMT2A
SCHEMBL13776269 0.92 PTGDR2 (0.76) PTGDR2MEN1KMT2A
SCHEMBL4123783 0.91 PTGDR2 (0.84) PTGDR2MEN1KMT2A
SCHEMBL5504942 0.91 PTGDR2 (0.84) PTGDR2MEN1KMT2A
SCHEMBL4123784 0.91 PTGDR2 (0.84) PTGDR2MEN1KMT2A

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
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed