SCHEMBL10285355

SCHEMBL10285355

CC(C)(C)OC(=O)Nc1cc(=O)n(CCN2CCC(N(Cc3ccc(O)c(O)c3)C(=O)OC(C)(C)C)CC2)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 12/20 0.37
UBE2M P61081 11/20 0.37
HSD11B1 P28845 1/20 0.36
CCR5 P51681 2/20 0.35
PLA2G7 Q13093 1/20 0.35
PARP1 P09874 2/20 0.35
PARP2 Q9UGN5 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL12000102 0.89 LMNA (0.42) DCUN1D1UBE2MLMNA
SCHEMBL10285880 0.83 UBE2M (0.35) DCUN1D1UBE2MHSD11B1CCR5LMNA
SCHEMBL14279739 0.82 NR1H4 (0.40) DCUN1D1UBE2MHSD11B1CCR5PLA2G7
SCHEMBL2795740 0.81 UBE2M (0.41) DCUN1D1UBE2MCCR5LMNA
SCHEMBL10285566 0.80 UBE2M (0.36) DCUN1D1UBE2MHSD11B1CCR5
SCHEMBL10285200 0.79 HSD11B1 (0.35) DCUN1D1UBE2MHSD11B1CCR5
SCHEMBL10285574 0.79 KCNH2 (0.37) HSD11B1CCR5
SCHEMBL12000155 0.79 LMNA (0.42) DCUN1D1UBE2MCCR5LMNA
SCHEMBL10285621 0.79 OPRM1 (0.39) CCR5
SCHEMBL10285209 0.78 KCNH2 (0.37) CCR5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed