SCHEMBL5507312

SCHEMBL5507312

COc1ccc(-c2[nH]c3ccccc3c2C(=O)OC(C)(C)C)cc1S(=O)(=O)NC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.51
TP53 P04637 1/20 0.50
CASP1 P29466 1/20 0.50
BRD3 Q15059 5/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
BRD2 P25440 2/20 0.48
PI4KB Q9UBF8 2/20 0.46
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.43
PIK3C2G O75747 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42

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
SCHEMBL5509086 0.89 BRD4 (0.48) BRD4TP53BRD3POLBBRD2
SCHEMBL3996870 0.89 BRD4 (0.47) BRD4TP53BRD3POLBSMN1; SMN2
SCHEMBL5511872 0.88 BRD4 (0.52) BRD4TP53CASP1BRD3POLB
SCHEMBL5516306 0.87 ALDH1A1 (0.44) BRD4TP53POLBSMN1; SMN2HTT
SCHEMBL5510395 0.85 MEN1 (0.46) SMN1; SMN2GAA
SCHEMBL5622868 0.83 BRD4 (0.52) BRD4TP53CASP1BRD3POLB
SCHEMBL5509333 0.83 BRD4 (0.52) BRD4TP53CASP1BRD3POLB
SCHEMBL5505156 0.81 BRD4 (0.46) BRD4TP53CASP1BRD3POLB
SCHEMBL5508350 0.80 BRD4 (0.48) BRD4TP53BRD3SMN1; SMN2BRD2
SCHEMBL5513699 0.80 BRD4 (0.46) BRD4TP53BRD3POLBSMN1; SMN2

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-1844011-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2007-10-17 EP disclosed
WO-2006081343-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-03 WO disclosed