SCHEMBL7865481

SCHEMBL7865481

NNC(=O)CCC(=O)Nc1cccc(B(O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
NLRP3 Q96P20 1/20 0.54
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ESRRG P62508 2/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL1810116 0.86 L3MBTL1 (0.57) L3MBTL1NLRP3KMT2AMEN1GAA
SCHEMBL1810118 0.86 L3MBTL1 (0.57) L3MBTL1NLRP3KMT2AMEN1GAA
SCHEMBL26722457 0.85 NLRP3 (0.58) NLRP3KMT2AMEN1GAAMAPT
SCHEMBL16387340 0.84 NLRP3 (0.53) NLRP3KMT2AMEN1HDAC3HDAC4
SCHEMBL15700203 0.83 NLRP3 (0.56) NLRP3KMT2AMEN1GAAMAPT
SCHEMBL14756765 0.83 NLRP3 (0.56) NLRP3KMT2AMEN1GAAMAPT
SCHEMBL21788586 0.83 NLRP3 (0.56) NLRP3KMT2AMEN1GAAMAPT
SCHEMBL15985297 0.83 NLRP3 (0.59) NLRP3MAPT
SCHEMBL12377475 0.83 CA1 (0.60) NLRP3KMT2AMEN1TRPV1ESRRG
SCHEMBL16387330 0.81 HDAC1 (0.55) NLRP3KMT2AMEN1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741734-B1 PHENYLBORONIC ACID COMPLEXES PROLINX INC (US) 2001-04-04 EP disclosed
US-5677431-A Phenylboronic acid complexes for bioconjugate preparation PROLINX, INC. (US) 1997-10-14 US disclosed
US-5623055-A Phenylboronic acid complexes derived from aminosalicylic acid for bioconjugate preparation PROLINX, INC. (US) 1997-04-22 US disclosed
US-5594111-A Phenylboronic acid complexes for bioconjugate preparation PROLINX, INC. (US) 1997-01-14 US disclosed
EP-0741734-A1 PHENYLBORONIC ACID COMPLEXES PROLINX, INC. (US) 1996-11-13 EP disclosed
WO-1995020591-A1 PHENYLBORONIC ACID COMPLEXES PROLINX, INC. (US) 1995-08-03 WO disclosed