SCHEMBL7337140

SCHEMBL7337140

CC(C)[C@H](NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)c1c(-c2ccccc2)c1=O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.53
CTSB P07858 4/20 0.53
CTSS P25774 2/20 0.53
CTSK P43235 2/20 0.53
TACR1 P25103 2/20 0.52
CAPN1 P07384 1/20 0.48

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
SCHEMBL7337127 1.00 CTSL (0.53) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7337277 0.91 CTSK (0.59) CTSLCTSBCTSSCTSK
SCHEMBL7337267 0.91 CTSK (0.59) CTSLCTSBCTSSCTSK
SCHEMBL7343193 0.90 CTSK (0.50) CTSLCTSBCTSSCTSK
SCHEMBL7343207 0.90 CTSK (0.50) CTSLCTSBCTSSCTSK
SCHEMBL7339587 0.90 CTSK (0.50) CTSLCTSBCTSSCTSK
SCHEMBL7339604 0.90 CTSK (0.50) CTSLCTSBCTSSCTSK
SCHEMBL10802556 0.78 CTSL (0.70) CTSLCTSBCTSSCTSKTACR1
SCHEMBL19807564 0.78 TACR1 (0.72) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7344977 0.78 CTSK (0.57) CTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5416117-A Protease inhibitor MITSUBISHI KASEI CORPORATION (JP) 1995-05-16 US disclosed
EP-0520427-B1 Cyclopropenone derivatives MITSUBISHI CHEM IND (JP) 1994-12-14 EP disclosed
US-5328909-A Protease inhibitors MITSUBISHI KASEI CORPORATION (JP) 1994-07-12 US disclosed
EP-0520427-A1 Cyclopropenone derivatives Mitsubishi Chemical Corporation (JP) 1992-12-30 EP disclosed