SCHEMBL6164962

SCHEMBL6164962

O=C(O)Oc1cc(-c2ccccc2)ccc1NC(=O)OCc1cc2cc(-c3ccccc3)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.43
MGLL Q99685 4/20 0.40
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
ENPP2 Q13822 2/20 0.38
CTSC P53634 1/20 0.37
PGR P06401 1/20 0.36
TACR1 P25103 1/20 0.36
ACLY P53396 1/20 0.35
ADAMTS4 O75173 1/20 0.35
PTPN1 P18031 1/20 0.34

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
SCHEMBL6166144 0.95 MGLL (0.46) MAOBMGLLFFAR1FFAR4ENPP2
SCHEMBL6167634 0.95 MGLL (0.46) MAOBMGLLFFAR1FFAR4ENPP2
SCHEMBL6165379 0.92 MGLL (0.41) MAOBMGLLFFAR1FFAR4PGR
SCHEMBL6164397 0.86 PTPN1 (0.50) MAOBMGLLFFAR1FFAR4ENPP2
SCHEMBL6163345 0.84 CA12 (0.46) MAOBMGLLFFAR1FFAR4ENPP2
SCHEMBL6162827 0.83 MAOB (0.43) MAOBMGLLFFAR1FFAR4ENPP2
SCHEMBL6166638 0.83 ACLY (0.44) MAOBMGLLFFAR1FFAR4ENPP2
SCHEMBL6163347 0.82 TRPM2 (0.48) MAOBMGLLFFAR1FFAR4PTPN1
SCHEMBL6163728 0.82 CTSC (0.42) MAOBMGLLFFAR1FFAR4ENPP2
SCHEMBL5776630 0.82 MAOB (0.40) MAOBMGLLFFAR1FFAR4ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379516-B1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-11-16 EP claimed