SCHEMBL5510465

SCHEMBL5510465

CC(C)(C)C(C(=O)O)n1c(SCCCN(C(=O)CCc2ccccc2)c2ccccc2)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.44
MLYCD O95822 1/20 0.40
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5121874 0.91 PTGDR2 (0.41) PTGDR2MAPTNPSR1LMNAL3MBTL1
SCHEMBL5121561 0.90 PTGDR2 (0.46) PTGDR2L3MBTL1TP53MEN1KMT2A
SCHEMBL5119923 0.88 PTGDR2 (0.46) PTGDR2L3MBTL1TP53MEN1KMT2A
SCHEMBL5107897 0.87 NPSR1 (0.44) PTGDR2MAPTNPSR1LMNAL3MBTL1
SCHEMBL5121197 0.86 PTGDR2 (0.40) PTGDR2MAPTNPSR1LMNATP53
SCHEMBL5111272 0.85 ALDH1A1 (0.43) PTGDR2MAPTNPSR1LMNATP53
SCHEMBL5120798 0.85 PTGDR2 (0.59) PTGDR2MAPTNPSR1LMNAL3MBTL1
SCHEMBL5115406 0.84 PTGDR2 (0.40) PTGDR2MAPTNPSR1LMNAL3MBTL1
SCHEMBL5114774 0.83 PTGDR2 (0.47) PTGDR2MAPTNPSR1LMNAL3MBTL1
SCHEMBL5106845 0.83 PTGDR2 (0.41) PTGDR2MAPTNPSR1LMNATP53

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