SCHEMBL9011201

SCHEMBL9011201

CCOC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 10/20 0.59
PSMB5 P28074 10/20 0.59
PSMB9 P28065 9/20 0.59
PSMB8 P28062 8/20 0.59
PSMB10 P40306 5/20 0.59
PSMB2 P49721 5/20 0.59
BCL2 P10415 1/20 0.58
CTSS P25774 4/20 0.55
CTSK P43235 3/20 0.55
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
REN P00797 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
PTPN1 P18031 2/20 0.53

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
SCHEMBL11795371 0.91 BCL2 (0.64) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL11795364 0.91 BCL2 (0.64) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL9011304 0.88 REN (0.58) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL12706400 0.88 BCL2 (0.65) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL10944784 0.88 CTSS (0.69) CTSSCTSKCTSLCTSBPTPN1
SCHEMBL10456411 0.88 CTSS (0.69) CTSSCTSKCTSLCTSBPTPN1
SCHEMBL12706406 0.87 BCL2 (0.66) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL18429620 0.86 CTSS (0.58) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL18495337 0.86 CTSS (0.58) PSMB1PSMB5PSMB9PSMB8PSMB10
SCHEMBL11607639 0.86 CTSS (0.63) PSMB1PSMB5PSMB9PSMB8PSMB10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5525727-A ANALGESIC OR NARCOTIC ANTAGONIST UNIVERSITY OF FLORIDA (US) 1996-06-11 US disclosed
EP-0110955-B1 BRAIN-SPECIFIC DRUG DELIVERY UNIV FLORIDA (US) 1995-08-23 EP disclosed
US-5187158-A Sustained delivery of viricides UNIVERSITY OF FLORIDA (US) 1993-02-16 US disclosed
US-5008257-A Penicillin or cephalosporin antibiotics UNIVERSITY OF FLORIDA (US) 1991-04-16 US disclosed
US-4900837-A Brain-specific drug delivery of steroid sex hormones cleaved from pyridinium carboxylates and dihydro-pyridine carboxylate precursors UNIVERSITY OF FLORIDA (US) 1990-02-13 US disclosed
US-4880921-A Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1989-11-14 US disclosed
US-4824850-A DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1989-04-25 US disclosed
US-4540564-A DIHYDROPYRIDINE AND/OR PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1985-09-10 US disclosed
EP-0110955-A1 BRAIN-SPECIFIC DRUG DELIVERY. UNIV FLORIDA (US) 1984-06-20 EP disclosed
WO-1983003968-A1 BRAIN-SPECIFIC DRUG DELIVERY UNIVERSITY OF FLORIDA (US) 1983-11-24 WO disclosed