SCHEMBL30018952

SCHEMBL30018952

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT1A1 P22309 3/20 0.71
MLNR O43193 1/20 0.71
NR1I2 O75469 1/20 0.71
SLCO2B1 O94956 1/20 0.71
ABCB11 O95342 1/20 0.71
ABCB1 P08183 1/20 0.71
CCKAR P32238 1/20 0.71
OPRK1 P41145 1/20 0.71
GHSR Q92847 1/20 0.71
SLCO1B3 Q9NPD5 1/20 0.71
ABCG2 Q9UNQ0 1/20 0.71
SLCO1B1 Q9Y6L6 1/20 0.71
KCNH2 Q12809 1/20 0.52
PSEN1 P49768 9/20 0.51
PSEN2 P49810 9/20 0.51
APH1B Q8WW43 9/20 0.51
NCSTN Q92542 9/20 0.51
APH1A Q96BI3 9/20 0.51
PSENEN Q9NZ42 9/20 0.51
KLK5 Q9Y337 2/20 0.48

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
SCHEMBL1300966 1.00 UGT1A1 (0.71) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL8162986 1.00 UGT1A1 (0.71) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL2175950 1.00 UGT1A1 (0.71) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL16298849 0.97 UGT1A1 (0.73) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL2178325 0.97 UGT1A1 (0.69) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL10034686 0.96 UGT1A1 (0.69) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL8224259 0.95 UGT1A1 (0.66) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL893599 0.94 UGT1A1 (0.67) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL16866221 0.93 UGT1A1 (0.67) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6157358 0.93 UGT1A1 (0.67) 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
CN-115215792-A Method for preparing atazanavir or sulfate thereof 江西富祥药业股份有限公司 2022-10-21 CN disclosed