Sugi Predict

Sugi Predict / Compounds / SCHEMBL23736110

SCHEMBL23736110

SCHEMBL23736110

CCCCc1ccc(-c2ccc(C(=O)N[C@@H](CCCC(NC(=O)OC(C)(C)C)c3cc(-c4ccc(C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@H]5COCCCCOC[C@@H](C(=O)OC)NC(=O)[C@H](N)NC5=O)cc4)ccc3CCCC)C(=O)O)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.34
▸ SUCNR1 Q9BXA5 5/20 0.33
▸ CPB2 Q96IY4 4/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ KLK7 P49862 1/20 0.31
▸ KLK5 Q9Y337 1/20 0.31
▸ CXCR3 P49682 1/20 0.31
▸ REN P00797 1/20 0.31

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
SCHEMBL23736288 0.87 CTSD (0.39) CTSDSUCNR1CPB2CA1CA2
SCHEMBL23736081 0.87 CTSD (0.41) CTSDSUCNR1CPB2CA1CA2
SCHEMBL23736231 0.85 CTSD (0.40) CTSDSUCNR1CPB2CA1CA2
SCHEMBL15727249 0.85 CTSD (0.47) CTSDSUCNR1CA1CA2
SCHEMBL23736076 0.84 CTSD (0.39) CTSDSUCNR1CPB2CA1CA2
SCHEMBL15750326 0.81 CTSD (0.46) CTSDSUCNR1CA1CA2REN
SCHEMBL15727185 0.81 CTSD (0.46) CTSDSUCNR1CA1CA2KLK7
SCHEMBL15727173 0.81 CTSD (0.46) CTSDSUCNR1CA1CA2REN
SCHEMBL15727219 0.81 CTSD (0.48) CTSDSUCNR1CA1CA2KLK7
SCHEMBL15727190 0.79 CTSD (0.47) CTSDSUCNR1CA1CA2KLK7

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-2922829-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-08-11 — — EP disclosed
Send feedback