SCHEMBL27685236

SCHEMBL27685236

O=C(O)C(Oc1ccc(Br)cc1)C(=O)c1cnn(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.51
HPGDS O60760 1/20 0.51
ALKBH2 Q6NS38 1/20 0.51
PTGDR2 Q9Y5Y4 7/20 0.47
RAB9A P51151 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
NPC1 O15118 4/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL27684819 0.88 HPGDS (0.51) HPGDSALKBH2PTGDR2RAB9AMEN1
SCHEMBL27665788 0.88 HPGDS (0.51) HPGDSALKBH2PTGDR2RAB9AMEN1
SCHEMBL27665937 0.87 PTGDR2 (0.52) LDHAHPGDSALKBH2PTGDR2RAB9A
SCHEMBL5319902 0.79 LDHA (0.43) LDHAPTGDR2ALKBH1
SCHEMBL5315020 0.78 LDHA (0.42) LDHAPTGDR2ALKBH1
SCHEMBL28761478 0.78 RAB9A (0.51) HPGDSALKBH2PTGDR2RAB9AMEN1
SCHEMBL28765396 0.76 RAB9A (0.49) HPGDSALKBH2PTGDR2RAB9AMEN1
SCHEMBL1995517 0.73 ALKBH1 (0.41) HPGDSALKBH2RAB9AMEN1KMT2A
SCHEMBL27685294 0.73 PTGDR2 (0.48) HPGDSALKBH2PTGDR2RAB9AMEN1
SCHEMBL17321468 0.72 ALKBH2 (0.68) HPGDSALKBH2PTGDR2RAB9AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1980664-B CRTH2 receptor ligands for therapeutic use 7TM PHARMA AS 2011-02-23 CN claimed
CN-1980664-A CRTH2 receptor ligands for therapeutic use 7TM PHARMA AS (DK) 2007-06-13 CN claimed
CN-1980664-B CRTH2 receptor ligands for therapeutic use 7TM PHARMA AS 2011-02-23 CN disclosed
CN-1980664-A CRTH2 receptor ligands for therapeutic use 7TM PHARMA AS (DK) 2007-06-13 CN disclosed