SCHEMBL30722033

SCHEMBL30722033

CC(C)(C)OC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.47
▸ CTSK P43235 3/20 0.47
▸ CTSB P07858 2/20 0.47
▸ CTSL P07711 1/20 0.47
▸ AKT1 P31749 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ACE P12821 1/20 0.41

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
SCHEMBL27332954 1.00 CTSS (0.47) CTSSCTSKCTSBCTSLAKT1
SCHEMBL30597634 1.00 CTSS (0.47) CTSSCTSKCTSBCTSLAKT1
SCHEMBL18495625 1.00 CTSS (0.47) CTSSCTSKCTSBCTSLAKT1
SCHEMBL30597646 1.00 CTSS (0.47) CTSSCTSKCTSBCTSLAKT1
SCHEMBL25148113 0.98 CTSS (0.48) CTSSCTSKCTSBCTSLAKT1
SCHEMBL31120787 0.94 REN (0.50) CTSBPTPN1
SCHEMBL31478692 0.91 KLK5 (0.46) CTSSCTSKCTSBCTSLMAPT
SCHEMBL20646383 0.91 KLK5 (0.46) CTSSCTSKCTSBCTSLMAPT
SCHEMBL17196273 0.91 KLK5 (0.46) CTSSCTSKCTSBCTSLMAPT
SCHEMBL29539925 0.91 KLK5 (0.46) CTSSCTSKCTSBCTSLMAPT

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
EP-4541796-A1 EXATECAN DERIVATIVES AND USE THEREOF Hangzhou Adcoris Biopharma Co., Ltd (CN) 2025-04-23 — — EP disclosed
WO-2024022165-A1 EXATECAN DERIVATIVES AND USE THEREOF 杭州爱科瑞思生物医药有限公司 2024-02-01 — — WO disclosed
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