SCHEMBL6622607

SCHEMBL6622607

O=C(Nc1ccccc1C(=O)O)OCc1cc2cc(-c3ccc(F)cc3)ccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.47
MGLL Q99685 1/20 0.47
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MAOB P27338 1/20 0.42
TRPM2 O94759 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPA1 O75762 1/20 0.40
DHODH Q02127 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL6163345 0.94 CA12 (0.46) HCAR2MGLLCA12CA2CA9
SCHEMBL6164514 0.93 MGLL (0.48) HCAR2MGLLMAOBFFAR1FFAR4
SCHEMBL6166379 0.93 MGLL (0.48) HCAR2MGLLMAOBFFAR1FFAR4
SCHEMBL6165315 0.92 MGLL (0.43) HCAR2MGLLMAOBFFAR1FFAR4
SCHEMBL6166749 0.91 MGLL (0.43) HCAR2MGLLMAOBDHODHFFAR1
SCHEMBL6166638 0.89 ACLY (0.44) HCAR2MGLLCA12CA2CA9
SCHEMBL6162225 0.88 MGLL (0.41) MGLLCA12CA2CA9MAOB
SCHEMBL6164267 0.88 CA12 (0.41) MGLLCA12CA2CA9MAOB
SCHEMBL6622615 0.88 MAOB (0.49) HCAR2MGLLMAOBRAB9ANPC1
SCHEMBL6164397 0.87 PTPN1 (0.50) MGLLCA12CA2CA9MAOB

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-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