SCHEMBL8722708

SCHEMBL8722708

CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.56
TP53 P04637 1/20 0.50
LNPEP Q9UIQ6 1/20 0.49
ECE1 P42892 1/20 0.49
GPR132 Q9UNW8 7/20 0.48
CMKLR2 P46091 1/20 0.48
CMKLR1 Q99788 1/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTSL P07711 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL8722398 1.00 GRIA1 (0.56) GRIA1TP53LNPEPECE1GPR132
SCHEMBL2229647 0.91 LNPEP (0.60) GRIA1LNPEPECE1GPR132CMKLR2
SCHEMBL9011337 0.88 ALDH1A1 (0.48) GRIA1TP53ECE1GPR132ALDH1A1
SCHEMBL1784498 0.86 CTSL (0.62) GRIA1TP53LNPEPALDH1A1CTSL
SCHEMBL1796825 0.86 CTSL (0.62) GRIA1TP53LNPEPALDH1A1CTSL
SCHEMBL30064651 0.86 CTSL (0.62) GRIA1TP53LNPEPALDH1A1CTSL
SCHEMBL3935180 0.86 CTSL (0.62) GRIA1TP53LNPEPALDH1A1CTSL
SCHEMBL6860313 0.84 GPR132 (0.61) GRIA1ECE1GPR132CMKLR2CMKLR1
SCHEMBL30037402 0.84 GPR132 (0.61) GRIA1ECE1GPR132CMKLR2CMKLR1
SCHEMBL6674337 0.84 CTSL (0.61) GRIA1LNPEPALDH1A1CTSLRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335545-B2 Pharmaceutical formulations for parenteral use UNIV FLORIDA (US) 1998-09-23 EP disclosed
EP-0327766-B1 Redox systems for brain-targeted drug delivery UNIV FLORIDA (US) 1998-04-08 EP disclosed
US-5525727-A ANALGESIC OR NARCOTIC ANTAGONIST UNIVERSITY OF FLORIDA (US) 1996-06-11 US disclosed
US-5187158-A Sustained delivery of viricides UNIVERSITY OF FLORIDA (US) 1993-02-16 US disclosed
US-5024998-A Administering in aqueous solution with cyclodextrin derivative UNIVERSITY OF FLORIDA (US) 1991-06-18 US disclosed
US-5017566-A Redox systems for brain-targeted drug delivery UNIVERSITY OF FLORIDA (US) 1991-05-21 US disclosed
US-5008257-A Penicillin or cephalosporin antibiotics UNIVERSITY OF FLORIDA (US) 1991-04-16 US disclosed
US-5002935-A Inclusion Complexing Hydroxypropylcyclodextrin with a Dihydropyridine-substituted Drug UNIVERSITY OF FLORIDA (US) 1991-03-26 US disclosed
US-4983586-A Decreasing precipitation at injection site or in lungs or other organs by combining with hydroxypropyl-beta-cyclodextrin UNIVERSITY OF FLORIDA (US) 1991-01-08 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
EP-0335545-A2 Pharmaceutical formulations for parenteral use UNIVERSITY OF FLORIDA (US) 1989-10-04 EP disclosed
EP-0327766-A2 Redox systems for brain-targeted drug delivery UNIVERSITY OF FLORIDA (US) 1989-08-16 EP disclosed
US-4824850-A DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1989-04-25 US disclosed