SCHEMBL28526145

SCHEMBL28526145

O=C(NC(COC(=O)C(Cc1ccccc1)NC(=O)c1cccc(O)c1)Cc1ccccc1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.82
HPGDS O60760 3/20 0.58
ACE P12821 3/20 0.56
PIN1 Q13526 2/20 0.55
GPR132 Q9UNW8 3/20 0.53
CTRB1 P17538 1/20 0.51
ALDH1A1 P00352 1/20 0.50
PRKCB P05771 1/20 0.50
PRKCA P17252 1/20 0.50
PRKCH P24723 1/20 0.50
PRKCD Q05655 1/20 0.50
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
TACR1 P25103 1/20 0.46

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
SCHEMBL28526144 1.00 CTSL (0.82) CTSLHPGDSACEPIN1GPR132
Asperphenamate SCHEMBL29375002 0.91 CTSL (1.00) CTSLACEPIN1CTRB1ALDH1A1
SCHEMBL28907567 0.84 CTSL (0.82) CTSLACEPIN1CTRB1ALDH1A1
SCHEMBL28907571 0.84 CTSL (0.82) CTSLACEPIN1CTRB1ALDH1A1
SCHEMBL28523557 0.84 CTSL (0.86) CTSLACEPIN1GPR132CTRB1
SCHEMBL28523556 0.84 CTSL (0.86) CTSLACEPIN1GPR132CTRB1
SCHEMBL28592116 0.81 GPR132 (0.70) HPGDSACEGPR132
SCHEMBL3497782 0.81 GPR132 (0.70) HPGDSACEGPR132
SCHEMBL14005615 0.80 HPGDS (0.58) CTSLHPGDSPIN1GPR132CTRB1
SCHEMBL3926900 0.80 CTSL (0.57) CTSLHPGDSACEGPR132ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112438972-A Medical application of cathepsin inhibitor 沈阳药科大学 2021-03-05 CN claimed
CN-112438972-B Medical application of cathepsin inhibitor 沈阳药科大学 2021-07-30 CN disclosed
CN-112438972-A Medical application of cathepsin inhibitor 沈阳药科大学 2021-03-05 CN disclosed