SCHEMBL8083629

SCHEMBL8083629

N=C(N)NCCCCNC(=O)C1(C(=O)NCC(c2ccccc2)c2ccccc2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SPHK1 Q9NYA1 6/20 0.40
MAOB P27338 2/20 0.40
CXCR3 P49682 1/20 0.37
TPSAB1 Q15661 1/20 0.37
MMP8 P22894 1/20 0.36
BCAT2 O15382 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
SCHEMBL8083582 0.87 SPHK1 (0.39) KDM1AHTTSMN1; SMN2SPHK1MAOB
SCHEMBL8098206 0.84 C3AR1 (0.35) KDM1AHTTSMN1; SMN2MAOBCXCR3
SCHEMBL8098215 0.83 C3AR1 (0.37) KDM1AHTTSMN1; SMN2CXCR3TPSAB1
SCHEMBL8083456 0.83 MMP8 (0.46) SPHK1TPSAB1MMP8
SCHEMBL8083610 0.83 MMP8 (0.54) SPHK1MMP8
SCHEMBL8089921 0.83 MMP8 (0.48) SPHK1MMP8
SCHEMBL8083488 0.82 MMP8 (0.45) SPHK1MMP8
SCHEMBL7445671 0.82 F2 (0.34) KDM1ACXCR3TPSAB1
SCHEMBL8083554 0.81 MMP8 (0.46) SMN1; SMN2SPHK1TPSAB1MMP8
SCHEMBL7443581 0.79 SMN1; SMN2 (0.43) HTTSMN1; SMN2BCAT2

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