SCHEMBL29954438

SCHEMBL29954438

O=C(c1cc(B(O)O)ccc1F)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
EPHX2 P34913 3/20 0.52
CNR1 P21554 3/20 0.50
KDM4E B2RXH2 1/20 0.50
ERN1 O75460 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PHGDH O43175 1/20 0.44
HSP90AA1 P07900 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL2207253 1.00 MAPT (0.55) MAPTTSHREPHX2CNR1KDM4E
SCHEMBL951604 0.89 MAPT (0.55) MAPTTSHREPHX2CNR1KDM4E
SCHEMBL29952444 0.87 TSHR (0.55) TSHRCNR1SMN1; SMN2ALDH1A1
SCHEMBL29951371 0.85 TSHR (0.57) TSHRCNR1KDM4EALDH1A1
SCHEMBL20214134 0.83 KDM4E (0.69) MAPTTSHRCNR1KDM4ESMN1; SMN2
SCHEMBL29953598 0.83 KDM4E (0.69) MAPTTSHRCNR1KDM4ESMN1; SMN2
SCHEMBL14602602 0.82 CNR1 (0.62) MAPTTSHREPHX2CNR1KDM4E
SCHEMBL876134 0.80 MAPT (0.58) MAPTTSHREPHX2CNR1KDM4E
SCHEMBL16379735 0.79 MAPT (0.57) MAPTTSHREPHX2CNR1KDM4E
SCHEMBL1438540 0.79 MAPT (0.57) MAPTTSHREPHX2CNR1KDM4E

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed