SCHEMBL28069173

SCHEMBL28069173

COC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.61
CTSK P43235 1/20 0.61
REN P00797 5/20 0.56
IL1RN P18510 3/20 0.54
ERAP2 Q6P179 3/20 0.54
ERAP1 Q9NZ08 2/20 0.53
NPY1R P25929 1/20 0.52
NPY4R P50391 1/20 0.52
PSMB5 P28074 1/20 0.51
TSHR P16473 1/20 0.51
PSEN1 P49768 3/20 0.51
PSEN2 P49810 3/20 0.51
APH1B Q8WW43 3/20 0.51
NCSTN Q92542 3/20 0.51
APH1A Q96BI3 3/20 0.51
PSENEN Q9NZ42 3/20 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
SCHEMBL28069172 1.00 CTSS (0.61) CTSSCTSKRENIL1RNERAP2
SCHEMBL29275108 0.96 IL1RN (0.59) CTSSCTSKRENIL1RNERAP2
SCHEMBL29275103 0.96 IL1RN (0.59) CTSSCTSKRENIL1RNERAP2
SCHEMBL22201737 0.92 CTSS (0.67) CTSSCTSKRENIL1RNERAP2
SCHEMBL22191071 0.92 CTSS (0.67) CTSSCTSKRENIL1RNERAP2
SCHEMBL22191069 0.92 CTSS (0.67) CTSSCTSKRENIL1RNERAP2
SCHEMBL24754751 0.90 CTSS (0.62) CTSSCTSKRENPSEN1PSEN2
SCHEMBL29184663 0.90 CTSS (0.62) CTSSCTSKRENPSEN1PSEN2
SCHEMBL24754846 0.90 CTSS (0.62) CTSSCTSKRENPSEN1PSEN2
SCHEMBL12706396 0.90 MMP1 (0.60) CTSSCTSKRENPSEN1PSEN2

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
CN-105622718-A Cyclic dipeptide used for wound healing GOOD DOCTOR PHARMACEUTICAL GROUP CO LTD 2016-06-01 CN claimed
CN-105622718-A Cyclic dipeptide used for wound healing GOOD DOCTOR PHARMACEUTICAL GROUP CO LTD 2016-06-01 CN disclosed