SCHEMBL5513344

SCHEMBL5513344

COC(=O)c1ccc(C(=O)N2c3ccccc3[C@H](NC(=O)Cc3ccc(Cl)cc3)C[C@@H]2C)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.56
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL5504734 0.90 PTGDR2 (0.58) PTGDR2LMNAMEN1KMT2APOLB
SCHEMBL5497575 0.84 PTGDR2 (0.74) PTGDR2LMNAMEN1KMT2ANPSR1
SCHEMBL4123777 0.77 PTGDR2 (0.82) PTGDR2LMNAMEN1KMT2APOLB
SCHEMBL5507284 0.77 KMT2A (0.43) PTGDR2LMNAKMT2AMAPT
SCHEMBL6977049 0.77 LMNA (0.76) PTGDR2LMNANPSR1
SCHEMBL5444441 0.76 PTGDR2 (0.52) PTGDR2LMNAMEN1KMT2AMAPT
SCHEMBL6972361 0.74 LMNA (0.72) PTGDR2LMNABRD4BRD2BRD3
SCHEMBL6972357 0.74 LMNA (0.72) PTGDR2LMNABRD4BRD2BRD3
SCHEMBL6972352 0.74 LMNA (0.72) PTGDR2LMNABRD4BRD2BRD3
SCHEMBL5504172 0.74 PTGDR2 (0.56) PTGDR2LMNABRD4

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