SCHEMBL10658982

SCHEMBL10658982

O=[N+]([O-])c1ccc(O)cc1C1OCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 4/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EGFR P00533 1/20 0.40
PKM P14618 1/20 0.39
GPR35 Q9HC97 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PSD A5PKW4 1/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL29404173 0.81 HTT (0.40) HTTMAPTMAPK1PKMRAB9A
SCHEMBL20328777 0.81 TSHR (0.53) HTTMAPTGPR35KMT2AALDH1A1
SCHEMBL17395909 0.81 TDP1 (0.51) HTTMAPTTDP1MEN1KMT2A
SCHEMBL44775 0.81 MAPK1 (0.51) HTTMAPTMAPK1MEN1KMT2A
SCHEMBL17395915 0.77 ALDH1A1 (0.41) HTTMAPTMAPK1TDP1NPC1
SCHEMBL2476070 0.77 NPC1 (0.47) HTTMAPTMAPK1NPC1RAB9A
SCHEMBL5486010 0.76 HTT (0.44) HTTMAPTTDP1PKMMEN1
SCHEMBL31056786 0.76 VCAM1 (0.50) MAPTPKMNPSR1NPC1RAB9A
SCHEMBL22835493 0.75 SNCA (0.37) HTTMAPTMAPK1TDP1PKM
SCHEMBL7438718 0.74 FFAR4 (0.43) HTTMAPTMAPK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11566093-B2 Polymer compound and method for manipulating cell using same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2023-01-31 US disclosed
EP-3450471-B1 POLYMER COMPOUND AND METHOD FOR MANIPULATING CELL USING SAME AIST (JP) 2020-12-09 EP disclosed
US-20200317839-A1 POLYMER COMPOUND AND METHOD FOR MANIPULATING CELL USING SAME NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2020-10-08 US disclosed
US-4775674-A CARDIOTONIC AGENTS BRISTOL-MYERS COMPANY (US) 1988-10-04 US disclosed