SCHEMBL8083437

SCHEMBL8083437

Cc1ccccc1CCNC(=O)C1(C(=O)NC(CCCNC(=N)N)OBOC(CCCNC(=N)N)NC(=O)C2(C(=O)NCCc3ccccc3C)CCCC2)CCCC1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALOX12 P18054 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
F2 P00734 2/20 0.31
PARP1 P09874 1/20 0.31
SPHK1 Q9NYA1 3/20 0.30
GAA P10253 1/20 0.30
NPY1R P25929 1/20 0.30
NPY4R P50391 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30

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
SCHEMBL8091675 0.89 MAPT (0.34) MAPTLMNATP53MEN1KMT2A
SCHEMBL8090174 0.88 F2 (0.39) MEN1KMT2AF2SPHK1
SCHEMBL8095211 0.86 MMP8 (0.42) KMT2ASPHK1
SCHEMBL8095279 0.84 NPY4R (0.38) NPY1RNPY4R
SCHEMBL8095146 0.83 F2 (0.37) MAPTHPGDF2SPHK1
SCHEMBL8098206 0.82 C3AR1 (0.35) SMN1; SMN2NPY1RNPY4R
SCHEMBL8091524 0.82 F2 (0.37) MAPTHPGDALDH1A1F2SPHK1
SCHEMBL8091579 0.82 MTNR1A (0.41) ALDH1A1POLBPARP1
SCHEMBL8090189 0.81 MMP8 (0.37) MEN1KMT2AF2SPHK1
SCHEMBL8098060 0.81 EPHX1 (0.36) LMNAMEN1KMT2ASMN1; SMN2PARP1

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