SCHEMBL5573448

SCHEMBL5573448

CC(C)(C)N([C@@H](CCC(=O)O)C(=O)N=C=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32
GABRG3 Q99928 2/20 0.32
GABRQ Q9UN88 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 2/20 0.30
NFKB1 P19838 2/20 0.30

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
SCHEMBL5573452 0.87
SCHEMBL5571472 0.77 CYP1A2 (0.45) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL5571470 0.77 CYP1A2 (0.45) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL9219251 0.77 CYP1A2 (0.45) FOLH1GABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL18342498 0.75 CYP1A2 (0.43) FOLH1GABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL3471974 0.75 CYP1A2 (0.43) FOLH1GABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL3471976 0.75 CYP1A2 (0.43) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL4461285 0.72 SLC6A2 (0.35) CYP2D6NFKB1SLC6A2SLC6A4BLM
SCHEMBL5571206 0.71 FOLH1 (0.37) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL5571202 0.71 FOLH1 (0.37) FOLH1GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711177-B1 IMPROVEMENTS RELATING TO THE PREPARATION OF PRODRUGS CANCER RES CAMPAIGN TECH (GB) 2007-05-09 EP disclosed
EP-0708660-B1 COMPOUNDS USEFUL FOR PREPARING PRODRUGS OF PROTEIN TYROSINE KINASE INHIBITORS CANCER RES CAMPAIGN TECH (GB) 2007-05-09 EP disclosed
EP-0804413-B1 NITROGEN MUSTARD PRODRUGS WITH NOVEL LIPOPHILIC PROTECTING GROUPS, AND PROCESSES FOR THEIR PRODUCTION CANCER RES CAMPAIGN TECH (GB) 2000-05-17 EP disclosed
US-6005002-A Nitrogen mustard prodrugs with novel lipophilic protecting groups, and processes for their production CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-12-21 US disclosed
US-5770731-A PROTECTING GROUPS, ANTIBODY DIRECTED ENZYME/PRODRUG THERAPY, ANTICARCINOGENIC AGENTS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-06-23 US disclosed
US-5728868-A Prodrugs of protein tyrosine kinase inhibitors CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-03-17 US disclosed
EP-0804413-A1 NITROGEN MUSTARD PRODRUGS WITH NOVEL LIPOPHILIC PROTECTING GROUPS, AND PROCESSES FOR THEIR PRODUCTION CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1997-11-05 EP disclosed
WO-1996022277-A1 NITROGEN MUSTARD PRODRUGS WITH NOVEL LIPOPHILIC PROTECTING GROUPS, AND PROCESSES FOR THEIR PRODUCTION CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-07-25 WO disclosed
EP-0711177-A1 IMPROVEMENTS RELATING TO PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-05-15 EP disclosed
EP-0708660-A1 PRODRUGS OF PROTEIN TYROSINE KINASE INHIBITORS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-05-01 EP disclosed
WO-1995003830-A2 PRODRUGS OF FARNESYL TRANSFERASE INHIBITORS FOR ADEPT OR VDEPT CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1995-02-09 WO disclosed
WO-1995002420-A2 PRODRUGS OF PROTEIN TYROSINE KINASE INHIBITORS CANCER RESEARCH CAMPAIGN TECHNOLOGY LTD. (GB) 1995-01-26 WO disclosed