SCHEMBL8091664

SCHEMBL8091664

COC12CCC(c3ccc(C(=O)N[CH]CCCN)cc3)(CC1)CC2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
MAPT P10636 3/20 0.32
LOXL2 Q9Y4K0 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ALDH1A1 P00352 4/20 0.31
CCR1 P32246 1/20 0.31
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
KDM4E B2RXH2 1/20 0.30
SPHK2 Q9NRA0 1/20 0.30
SPHK1 Q9NYA1 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
SCHEMBL8095325 0.97 POLB (0.33) POLBMAPTCA1CA2ALDH1A1
SCHEMBL8098109 0.87 ALDH1A1 (0.33) POLBALDH1A1LMNA
SCHEMBL8095262 0.85 HDAC3 (0.32) SPHK2SPHK1
SCHEMBL8091620 0.85 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8090129 0.85 ALDH1A1 (0.34) POLBALDH1A1SPHK2SPHK1
SCHEMBL8091498 0.84 CYP1A2 (0.32)
SCHEMBL8091597 0.83 SPHK1 (0.34) SPHK2SPHK1
SCHEMBL8090147 0.83 SIGMAR1 (0.30)
SCHEMBL8083552 0.81 CTSB (0.33)
SCHEMBL8091666 0.81 NPC1 (0.47) POLBCA2ALDH1A1

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