SCHEMBL8091485

SCHEMBL8091485

NCCC[C@H](NC=O)OB(O)C1(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
EPHX2 P34913 2/20 0.40
POLB P06746 1/20 0.37
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
TGM2 P21980 3/20 0.36
F13A1 P00488 2/20 0.36
TGM1 P22735 2/20 0.36
TGM6 O95932 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
SCHEMBL8091489 0.77 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1EPHX2POLB
SCHEMBL8098063 0.72 CES2 (0.37) ALDH1A1POLBPKM
SCHEMBL7435936 0.70 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1EPHX2POLB
SCHEMBL8090119 0.69 CAPN1 (0.33) ALDH1A1EPHX2PKM
SCHEMBL7439896 0.68 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1EPHX2POLB
SCHEMBL7435943 0.68 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1EPHX2POLB
SCHEMBL7443545 0.66 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1EPHX2POLB
SCHEMBL7443535 0.64 KMT2A (0.42) ALDH1A1KMT2AMEN1EPHX2POLB
SCHEMBL8092142 0.63 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1EPHX2POLB
SCHEMBL8091601 0.62 EPHX2 (0.88) ALDH1A1KMT2AMEN1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed