SCHEMBL6609767

SCHEMBL6609767

CS(=O)(=O)c1cc(N)c(NC(=O)OCc2cc3cc(-c4ccc(F)cc4)ccc3o2)c(C(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.36
MGLL Q99685 1/20 0.36
HDAC1 Q13547 6/20 0.35
HDAC2 Q92769 6/20 0.35
HDAC3 O15379 5/20 0.35
ADAMTS4 O75173 1/20 0.33
CSF1R P07333 1/20 0.33
PTGS2 P35354 2/20 0.33
PGR P06401 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN12 Q05209 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL6165315 0.80 MGLL (0.43) MGLLHDAC1HDAC2HDAC3PGR
SCHEMBL6166529 0.80 MGLL (0.39) MGLLPGRFFAR1FFAR4
SCHEMBL6166749 0.79 MGLL (0.43) MGLLHDAC1HDAC2HDAC3PGR
SCHEMBL6167537 0.79 ADAMTS4 (0.41) MGLLADAMTS4PTPN1PTPN12PTPN22
SCHEMBL6056606 0.79 MGLL (0.39) MGLLPTPN1
SCHEMBL6162225 0.78 MGLL (0.41) MGLLHDAC1HDAC2HDAC3PGR
SCHEMBL6622607 0.78 HCAR2 (0.47) MGLLHDAC1HDAC2HDAC3FFAR1
SCHEMBL6164514 0.77 MGLL (0.48) MGLLHDAC1HDAC2HDAC3PTPN1
SCHEMBL6166379 0.77 MGLL (0.48) MGLLHDAC1HDAC2HDAC3PTPN1
SCHEMBL6164267 0.77 CA12 (0.41) MGLLHDAC1HDAC2HDAC3HDAC8

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
EP-1379516-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP claimed
WO-2002070500-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-12 WO claimed
EP-1379516-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
WO-2002070500-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-12 WO disclosed