SCHEMBL19798262

SCHEMBL19798262

C=C1OCCC(=O)O[C@@H](C)C[C@H]1Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
HSD11B1 P28845 2/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
ACE P12821 1/20 0.32
GRM2 Q14416 1/20 0.32
F2 P00734 2/20 0.32
PRSS1 P07477 2/20 0.32
TSHR P16473 2/20 0.32
HTT P42858 1/20 0.32
CTRB1 P17538 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 1/20 0.31
GRM5 P41594 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL14159750 0.87 MAOB (0.39) MAOBDDB1CRBNHSD11B1CA1
SCHEMBL14159746 0.87 MAOB (0.39) MAOBDDB1CRBNHSD11B1CA1
SCHEMBL14159890 0.87 MAOB (0.39) MAOBDDB1CRBNHSD11B1CA1
SCHEMBL14159784 0.87 MAOB (0.39) MAOBDDB1CRBNHSD11B1CA1
SCHEMBL18699092 0.80 MAOB (0.40) MAOBDDB1CRBNHSD11B1TAAR1
SCHEMBL16573167 0.74 MAOB (0.37) MAOBDDB1CRBNHSD11B1TAAR1
SCHEMBL14159745 0.74 GAA (0.43) MAOBDDB1CRBNHSD11B1GRM2
SCHEMBL21850372 0.74 GAA (0.43) MAOBDDB1CRBNHSD11B1GRM2
SCHEMBL18772703 0.69 F2 (0.39) DDB1CRBNHSD11B1CA1CA9
SCHEMBL21991632 0.69 CA1 (0.37) DDB1CRBNCA1CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019068809-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-04-11 WO disclosed
WO-2019053019-A1 MICROBIOCIDAL QUINOLINE (THIO)CARBOXAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-03-21 WO disclosed
WO-2019053027-A1 MICROBIOCIDAL QUINOLINE (THIO)CARBOXAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-03-21 WO disclosed
WO-2019011926-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-01-17 WO disclosed
WO-2019011929-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-01-17 WO disclosed
WO-2019011928-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-01-17 WO disclosed
WO-2019012003-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-01-17 WO disclosed
WO-2018065414-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 WO disclosed
WO-2018055135-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-03-29 WO disclosed
WO-2018015458-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-01-25 WO disclosed