SCHEMBL5504481

SCHEMBL5504481

Cc1cccc(C)c1OCCSc1nc2ccccc2n1CC(=O)O.O=C(O)Cn1c(SCCOc2cccc3ccccc23)nc2ccccc21

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.85
PDPK1 O15530 4/20 0.84
ATM Q13315 2/20 0.84
KMT2A Q03164 6/20 0.64
MEN1 O00255 5/20 0.60
POLB P06746 2/20 0.60
PPARG P37231 1/20 0.60
MAPT P10636 1/20 0.59
PABPC1 P11940 1/20 0.58

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
SCHEMBL5113912 0.92 PTGDR2 (1.00) PTGDR2PDPK1ATMKMT2AMEN1
SCHEMBL5120768 0.92 PDPK1 (1.00) PTGDR2PDPK1ATMKMT2AMEN1
SCHEMBL5120963 0.88 PDPK1 (1.00) PTGDR2PDPK1ATMKMT2AMEN1
SCHEMBL5110637 0.81 PDPK1 (0.80) PTGDR2PDPK1ATMKMT2AMEN1
SCHEMBL5113947 0.80 PDPK1 (0.77) PTGDR2PDPK1ATMKMT2AMEN1
SCHEMBL5113955 0.78 PTGDR2 (1.00) PTGDR2PDPK1ATMKMT2AMEN1
SCHEMBL5120470 0.78 PTGDR2 (0.85) PTGDR2PDPK1ATMKMT2AMEN1
SCHEMBL5113732 0.77 ATM (1.00) PTGDR2PDPK1ATMKMT2AMEN1
SCHEMBL5120282 0.77 TP53 (0.82) PTGDR2PDPK1ATMKMT2AMEN1
SCHEMBL5107362 0.76 MEN1 (0.92) PTGDR2PDPK1ATMKMT2AMEN1

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 claimed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO claimed