SCHEMBL6166144

SCHEMBL6166144

O=C(O)Oc1cc(-c2ccc(F)cc2)ccc1NC(=O)OCc1cc2cc(-c3ccccc3)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.46
MAOB P27338 1/20 0.39
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CHRM3 P20309 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CASP3 P42574 1/20 0.35
POLB P06746 1/20 0.35
PGR P06401 1/20 0.35
CTSC P53634 1/20 0.35
ENPP2 Q13822 1/20 0.35
ASAH1 Q13510 1/20 0.35

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
SCHEMBL6167634 1.00 MGLL (0.46) MGLLMAOBFFAR1FFAR4HDAC3
SCHEMBL6165379 0.97 MGLL (0.41) MGLLMAOBFFAR1FFAR4HDAC3
SCHEMBL6164962 0.95 MAOB (0.43) MGLLMAOBFFAR1FFAR4PGR
SCHEMBL6164514 0.87 MGLL (0.48) MGLLMAOBFFAR1FFAR4HDAC3
SCHEMBL6166379 0.87 MGLL (0.48) MGLLMAOBFFAR1FFAR4HDAC3
SCHEMBL6622607 0.84 HCAR2 (0.47) MGLLMAOBFFAR1FFAR4HDAC3
SCHEMBL6165315 0.84 MGLL (0.43) MGLLMAOBFFAR1FFAR4HDAC3
SCHEMBL5775682 0.83 MGLL (0.41) MGLLMAOBFFAR1FFAR4HDAC3
SCHEMBL6166749 0.83 MGLL (0.43) MGLLMAOBFFAR1FFAR4HDAC3
SCHEMBL6164397 0.82 PTPN1 (0.50) MGLLMAOBFFAR1FFAR4PGR

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