SCHEMBL8090174

SCHEMBL8090174

N=C(N)NCCCC(NC(=O)C1(C(=O)NCCc2ccccc2)CCCC1)OBOC(CCCNC(=N)N)NC(=O)C1(C(=O)NCCc2ccccc2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.39
MMP8 P22894 2/20 0.38
SPHK1 Q9NYA1 5/20 0.37
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
TACR1 P25103 1/20 0.35
TACR3 P29371 1/20 0.35
F10 P00742 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MME P08473 2/20 0.33
EPHX1 P07099 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
SCHEMBL8095211 0.96 MMP8 (0.42) MMP8SPHK1CYP2C19KMT2AF10
SCHEMBL8090189 0.94 MMP8 (0.37) F2MMP8SPHK1CYP2C19CYP3A4
SCHEMBL8095279 0.93 NPY4R (0.38) KDM4ETAAR1
SCHEMBL8095146 0.92 F2 (0.37) F2MMP8SPHK1EPHX1
SCHEMBL8091524 0.91 F2 (0.37) F2MMP8SPHK1EPHX1
SCHEMBL8095221 0.90 MMP8 (0.41) MMP8SPHK1CYP2C19KMT2AF10
SCHEMBL8091528 0.90 F2 (0.37) F2MMP8SPHK1EPHX1
SCHEMBL8098060 0.90 EPHX1 (0.36) MEN1KMT2AEPHX1
SCHEMBL8095466 0.89 CYP2C19 (0.39) F2MMP8CYP2C19CYP3A4KDM4E
SCHEMBL8091579 0.88 MTNR1A (0.41)

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