SCHEMBL6680689

SCHEMBL6680689

NC(=O)OCCOc1ccc(Sc2ccc(O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.44
PARP10 Q53GL7 1/20 0.41
LMNA P02545 3/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
LTA4H P09960 3/20 0.40
NR5A1 Q13285 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PRSS1 P07477 1/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL28675818 0.90 PARP10 (0.49) PARP10LMNALTA4HNR5A1PRSS1
SCHEMBL6681976 0.83 MET (0.48) NR1H2LMNAMEN1MAPTKMT2A
SCHEMBL6683181 0.80 GAA (0.50) PARP10MAPTGAANPSR1
SCHEMBL29226861 0.79 ESR1 (0.47) LMNAMEN1KMT2ALTA4HSMN1; SMN2
SCHEMBL28993960 0.76 NPC1 (0.50) PARP10LMNAMEN1MAPTKMT2A
SCHEMBL881472 0.75 L3MBTL1 (0.58) PARP10MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL16502888 0.75 MEN1 (0.54) PARP10LMNAMEN1MAPTKMT2A
SCHEMBL12517383 0.75 NR1H2 (0.52) NR1H2LMNALTA4HNR5A1
SCHEMBL28634217 0.75 CA2 (0.46) NR1H2LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL5703994 0.75 PARP10 (0.47) PARP10LMNAMEN1MAPTKMT2A

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
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO disclosed