SCHEMBL13743299

SCHEMBL13743299

CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTRA2 O43464 8/20 0.59
HTRA1 Q92743 8/20 0.59
ALB P02768 2/20 0.51
PSMB5 P28074 6/20 0.51
PSMB2 P49721 3/20 0.51
PSMB1 P20618 2/20 0.51
PSMB8 P28062 2/20 0.51
PSMB10 P40306 2/20 0.51
PSMB11 A5LHX3 1/20 0.51
PSMD11 O00231 1/20 0.51
PSMD12 O00232 1/20 0.51
PSMD14 O00487 1/20 0.51
PSMA7 O14818 1/20 0.51
PSMD3 O43242 1/20 0.51
CTSB P07858 1/20 0.51
CYP3A4 P08684 1/20 0.51
PSMC3 P17980 1/20 0.51
CYP3A5 P20815 1/20 0.51
CYP3A7 P24462 1/20 0.51
PSMA1 P25786 1/20 0.51

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
SCHEMBL13743070 0.96 HTRA2 (0.54) HTRA2HTRA1ALBPSMB5PSMB2
SCHEMBL13743312 0.94 HTRA2 (0.59) HTRA2HTRA1ALBPSMB5PSMB2
SCHEMBL13743295 0.90 HTRA2 (0.54) HTRA2HTRA1ALBPSMB5PSMB2
SCHEMBL13742963 0.81 HTRA2 (0.46) HTRA2HTRA1PSMB5PSMB2PSMB1
SCHEMBL17298374 0.80 PSMB5 (0.67) PSMB5PSMB2PSMB1PSMB8PSMB10
SCHEMBL17298373 0.77 PSMB5 (0.69) PSMB5PSMB2PSMB1PSMB8PSMB10
SCHEMBL18859012 0.74 PSMB5 (0.63) PSMB5PSMB2PSMB1PSMB8PSMB10
SCHEMBL17298540 0.74 PSMB5 (0.70) PSMB5PSMB2PSMB1PSMB8PSMB10
SCHEMBL18835545 0.74 PSMB5 (0.66) PSMB5PSMB2PSMB1PSMB8PSMB10
SCHEMBL18835528 0.73 PSMB5 (0.75) PSMB5PSMB2PSMB1PSMB8PSMB10

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
US-20090215093-A1 COMPOUNDS FOR ENZYME INHIBITION PROTEOLIX, INC. (US) 2009-08-27 US disclosed
US-20090215093-A1 COMPOUNDS FOR ENZYME INHIBITION PROTEOLIX, INC. (US) 2009-08-27 US disclosed