SCHEMBL5499481

SCHEMBL5499481

CCOC(=O)c1ccccc1N(CCCSc1nc2ccccc2n1CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.58
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
PDPK1 O15530 2/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL5121027 0.89 PTGDR2 (0.59) PTGDR2MEN1KMT2APOLBPDPK1
SCHEMBL5106685 0.89 PTGDR2 (0.62) PTGDR2MEN1KMT2APOLBPDPK1
SCHEMBL5120700 0.88 PTGDR2 (0.57) PTGDR2MEN1KMT2APOLBPDPK1
SCHEMBL5499474 0.87 PTGDR2 (0.58) PTGDR2MEN1KMT2APOLBPDPK1
SCHEMBL5113997 0.86 PTGDR2 (0.58) PTGDR2MEN1KMT2APOLBPDPK1
SCHEMBL5122099 0.85 PTGDR2 (0.40) PTGDR2MEN1KMT2APOLB
SCHEMBL5120902 0.85 PTGDR2 (0.61) PTGDR2MEN1KMT2APOLBPDPK1
SCHEMBL5111077 0.80 PTGDR2 (0.53) PTGDR2MEN1KMT2APOLBPDPK1
SCHEMBL5121162 0.78 PTGDR2 (0.64) PTGDR2MEN1KMT2APOLBPDPK1
SCHEMBL5106826 0.77 PTGDR2 (0.68) PTGDR2MEN1KMT2APDPK1ATM

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-1784182-A1 2-SULFANYL-BENZIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-05-16 EP disclosed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO disclosed