SCHEMBL7820596

SCHEMBL7820596

CC(C)(C)C(NC(=O)OCc1ccccc1)C(=O)NN(Cc1ccc(-c2ccccn2)cc1)CC(O)C(N)Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT1A1 P22309 3/20 0.72
MLNR O43193 1/20 0.72
NR1I2 O75469 1/20 0.72
SLCO2B1 O94956 1/20 0.72
ABCB11 O95342 1/20 0.72
ABCB1 P08183 1/20 0.72
CCKAR P32238 1/20 0.72
OPRK1 P41145 1/20 0.72
GHSR Q92847 1/20 0.72
SLCO1B3 Q9NPD5 1/20 0.72
ABCG2 Q9UNQ0 1/20 0.72
SLCO1B1 Q9Y6L6 1/20 0.72
KCNH2 Q12809 1/20 0.62
CTSD P07339 4/20 0.43
CYP3A4 P08684 3/20 0.43
CTSB P07858 4/20 0.38
CTSL P07711 3/20 0.37
CTSS P25774 3/20 0.37
PSMB11 A5LHX3 2/20 0.37
PSMA7 O14818 2/20 0.37

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
SCHEMBL14479844 1.00 UGT1A1 (0.72) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL17635694 0.94 UGT1A1 (0.72) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL8223501 0.93 UGT1A1 (0.83) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL14240041 0.93 UGT1A1 (0.83) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL8228540 0.93 UGT1A1 (0.83) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL8231384 0.93 UGT1A1 (0.83) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL7822599 0.93 UGT1A1 (0.83) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL1705393 0.93 UGT1A1 (0.83) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL10204009 0.93 UGT1A1 (0.83) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL8200543 0.93 UGT1A1 (0.83) UGT1A1MLNRNR1I2SLCO2B1ABCB11

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
WO-2010132852-A2 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS INC. (US) 2010-11-18 WO disclosed