SCHEMBL9011111

SCHEMBL9011111

CCOC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.66
CTSS P25774 3/20 0.59
CTSK P43235 2/20 0.59
CTSL P07711 1/20 0.59
CTSB P07858 1/20 0.59
PSEN1 P49768 3/20 0.54
PSEN2 P49810 3/20 0.54
APH1B Q8WW43 3/20 0.54
NCSTN Q92542 3/20 0.54
APH1A Q96BI3 3/20 0.54
PSENEN Q9NZ42 3/20 0.54
MAPK1 P28482 1/20 0.53
AKT1 P31749 1/20 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
SCHEMBL9011112 1.00 REN (0.66) RENCTSSCTSKCTSLCTSB
SCHEMBL8884060 0.95 REN (0.61) RENCTSSCTSKCTSLCTSB
SCHEMBL10880715 0.92 REN (0.70) RENCTSSCTSKCTSLCTSB
SCHEMBL9551300 0.91 REN (0.66) RENCTSSCTSKCTSLCTSB
SCHEMBL15255353 0.91 REN (0.66) RENCTSSCTSKCTSLCTSB
SCHEMBL23106755 0.91 REN (0.68) RENCTSSCTSKCTSLCTSB
SCHEMBL1913543 0.91 REN (0.68) RENCTSSCTSKCTSLCTSB
SCHEMBL18229265 0.91 REN (0.68) RENCTSSCTSKCTSLCTSB
SCHEMBL22962098 0.91 REN (0.68) RENCTSSCTSKCTSLCTSB
SCHEMBL6857159 0.91 REN (0.68) RENCTSSCTSKCTSLCTSB

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