SCHEMBL8091412

SCHEMBL8091412

COC12CCC(c3ccc(CNC(=O)C4(C(=O)N[CH]CCCNC(=N)N)CCCC4)cc3)(CC1)CC2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2 P00734 1/20 0.30
PROC P04070 1/20 0.30
CYP3A4 P08684 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
SCHEMBL8091469 0.83 ADRA1D (0.33) ALDH1A1
SCHEMBL8083449 0.83 EPHX2 (0.41) F2PROC
SCHEMBL8083486 0.82 EPHX2 (0.41) F2PROC
SCHEMBL8090129 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL8083551 0.81 EPHX2 (0.41) F2PROC
SCHEMBL8095067 0.80 NPY4R (0.32)
SCHEMBL8095058 0.79 SPHK1 (0.43) F2PROC
SCHEMBL8096623 0.77 MC4R (0.39) F2
SCHEMBL8091474 0.75 ADRA1D (0.40)
SCHEMBL8089916 0.75 MMP8 (0.44) F2CYP3A4

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