SCHEMBL4281333

SCHEMBL4281333

CC(=O)Nc1c(NCC(=O)O)cccc1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.65
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
PTGER1 P34995 1/20 0.51
PTGER4 P35408 1/20 0.51
PTGER3 P43115 1/20 0.51
PTGER2 P43116 1/20 0.51
CYP19A1 P11511 1/20 0.47
PPIA P62937 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.45
SGMS2 Q8NHU3 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CLCN2 P51788 1/20 0.44

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
SCHEMBL3176571 0.87 BRD4 (0.58) BRD4KMT2AMEN1CYP19A1PPIA
SCHEMBL5843850 0.82 BRD4 (0.63) BRD4KMT2AMEN1PTGER1PTGER4
SCHEMBL8924076 0.80 BRD4 (1.00) BRD4KMT2AMEN1CYP19A1PPIA
SCHEMBL3175163 0.79 BRD4 (0.63) BRD4KMT2AMEN1CYP19A1PPIA
SCHEMBL1142084 0.78 BRD4 (0.78) BRD4KMT2AMEN1PTGER1CYP19A1
SCHEMBL1137447 0.75 CYP19A1 (0.59) BRD4KMT2AMEN1CYP19A1PPIA
SCHEMBL13192251 0.74 BRD4 (0.76) BRD4KMT2AMEN1CYP19A1PPIA
SCHEMBL8121518 0.73 MAPK1 (0.54) BRD4KMT2AMEN1LMNASMN1; SMN2
SCHEMBL2892419 0.73 BRD4 (0.58) BRD4KMT2AMEN1CYP19A1PPIA
SCHEMBL6948195 0.72 BRD4 (0.74) BRD4KMT2AMEN1CYP19A1TDP1

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-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 WO disclosed