SCHEMBL8091477

SCHEMBL8091477

N=C(N)NCCC[CH]NC(=O)C1(C(=O)NCCNS(=O)(=O)c2ccccc2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.40
EPHX2 P34913 1/20 0.38
USP2 O75604 1/20 0.38
CAPN1 P07384 1/20 0.37
TPSAB1 Q15661 1/20 0.37
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
HTT P42858 1/20 0.33
CA12 O43570 1/20 0.33
MMP2 P08253 1/20 0.33
CA9 Q16790 1/20 0.33
F2 P00734 1/20 0.33
TMPRSS6 Q8IU80 1/20 0.33
PPARG P37231 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
SCHEMBL8089916 0.83 MMP8 (0.44) EPHX2F2
SCHEMBL8083449 0.82 EPHX2 (0.41) EPHX2TPSAB1F2
SCHEMBL8083486 0.81 EPHX2 (0.41) EPHX2TPSAB1F2
SCHEMBL8083551 0.80 EPHX2 (0.41) EPHX2TPSAB1CA1CA2CA12
SCHEMBL7444786 0.80 ALDH1A1 (0.34) TBXA2REPHX2USP2CAPN1ALDH1A1
SCHEMBL8083888 0.79 MMP8 (0.33) SMN1; SMN2KDM4EHTTF2
SCHEMBL8092142 0.78 ALDH1A1 (0.48) EPHX2ALDH1A1
SCHEMBL8095058 0.78 SPHK1 (0.43) EPHX2TPSAB1CA1CA2CA12
SCHEMBL7444776 0.77 CAPN1 (0.35) TBXA2REPHX2USP2CAPN1TPSAB1
SCHEMBL8096021 0.77 CYP1A2 (0.37) TPSAB1ALDH1A1SMN1; SMN2KDM4ELMNA

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