SCHEMBL4835753

SCHEMBL4835753

CCC(C)(C(=O)O)c1csc(-c2cc(Br)ccc2OCc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 13/20 0.48
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 3/20 0.43
CYP2C9 P11712 1/20 0.42
CCR5 P51681 1/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL14098739 0.90 PTGER1 (0.52) PTGER1DRD2DRD4DRD3CYP2C9
SCHEMBL5127022 0.86 PTGER1 (0.55) PTGER1DRD2DRD4DRD3CYP2C9
SCHEMBL5123511 0.85 PTGER1 (0.47) PTGER1DRD2DRD4DRD3CYP2C9
SCHEMBL14098738 0.78 PTGER1 (0.51) PTGER1DRD2DRD4DRD3CYP2C9
SCHEMBL14098741 0.78 PTGER1 (0.68) PTGER1CYP2C9
SCHEMBL5117064 0.77 PTGER1 (0.64) PTGER1DRD2DRD4DRD3CYP2C9
SCHEMBL4724701 0.77 PTGER1 (0.48) PTGER1DRD2DRD4DRD3CYP2C9
SCHEMBL14098691 0.77 PTGER1 (0.58) PTGER1DRD2DRD4DRD3CYP2C9
SCHEMBL5119773 0.76 PTGER1 (0.54) PTGER1DRD2DRD4DRD3CYP2C9
SCHEMBL5123378 0.74 PTGER1 (0.71) PTGER1CYP2C9

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-1874776-A1 OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PGE2 MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2008-01-09 EP disclosed
WO-2006114274-A1 OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PGE2 MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2006-11-02 WO disclosed