SCHEMBL8090127

SCHEMBL8090127

NCCCC(NC(=O)C1(C(=O)NCCc2ccc(O)cc2)CCCC1)OBOC(CCCN)NC(=O)C1(C(=O)NCCc2ccc(O)cc2)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
F13A1 P00488 1/20 0.36
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA4 P43681 2/20 0.34
GRIA1 P42261 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PLAAT3 P53816 1/20 0.33
PLAAT5 Q96KN8 1/20 0.33
PLAAT2 Q9NWW9 1/20 0.33
PLAAT4 Q9UL19 1/20 0.33
NPPA P01160 1/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
ECE1 P42892 1/20 0.33
AKR1B10 O60218 1/20 0.33

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
SCHEMBL8090134 0.93 KDM4E (0.36) KDM4EF13A1NR1H2NR1H3CHRNB2
SCHEMBL8095466 0.92 CYP2C19 (0.39) KDM4ENR1H2NR1H3NPC1CYP1A2
SCHEMBL8095266 0.89 MMP1 (0.39) KDM4ENR1H2NR1H3CA1CA2
SCHEMBL8095279 0.89 NPY4R (0.38) KDM4EF13A1AKR1B10AKR1B1
SCHEMBL8098087 0.87 MMP8 (0.44) MMENPC1CYP2D6CYP2C19
SCHEMBL8095467 0.85 CYP3A4 (0.38) KDM4ENPC1CYP1A2CYP2C19RAB9A
SCHEMBL8091392 0.85 CYP2A6 (0.38) NPC1RAB9ASMN1; SMN2
SCHEMBL8090157 0.84 MTNR1A (0.41) CA1CA2RAB9A
SCHEMBL8091675 0.83 MAPT (0.34) GAAMAPTSMN1; SMN2
SCHEMBL8095269 0.82 MMP1 (0.38) CA1CA2CYP2C19

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