SCHEMBL28965033

SCHEMBL28965033

COC(=O)C(Cc1cc(O)c(OC)c(I)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 1/20 0.47
▸ LCK P06239 1/20 0.41
▸ CTSS P25774 10/20 0.41
▸ CTSK P43235 9/20 0.41
▸ ACE P12821 1/20 0.41
▸ PCNA P12004 1/20 0.40
▸ CTSB P07858 4/20 0.40
▸ CTSL P07711 2/20 0.40
▸ TPMT P51580 1/20 0.39
▸ TACR1 P25103 2/20 0.39

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
SCHEMBL23605588 1.00 KLK5 (0.47) KLK5LCKCTSSCTSKACE
SCHEMBL10431620 0.93 KLK5 (0.54) KLK5CTSSCTSKACECTSB
SCHEMBL28956961 0.93 KLK5 (0.54) KLK5CTSSCTSKACECTSB
SCHEMBL23574982 0.91 ACE (0.51) KLK5CTSSCTSKACECTSB
SCHEMBL23574978 0.91 ACE (0.51) KLK5CTSSCTSKACECTSB
SCHEMBL23605443 0.89 KLK5 (0.47) KLK5CTSSCTSKACECTSB
SCHEMBL5123861 0.88 KLK5 (0.53) KLK5LCKCTSSCTSKACE
SCHEMBL28956911 0.88 KLK5 (0.47) KLK5CTSSCTSKACECTSB
SCHEMBL30249988 0.88 KLK5 (0.47) KLK5CTSSCTSKACECTSB
SCHEMBL30389753 0.88 KLK5 (0.47) KLK5CTSSCTSKACECTSB

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-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 — — CN disclosed
Send feedback