SCHEMBL3965568

SCHEMBL3965568

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
DPP4 P27487 11/20 0.39
DPP8 Q6V1X1 7/20 0.39
DPP9 Q86TI2 7/20 0.39
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
IARS1 P41252 3/20 0.35
DPP7 Q9UHL4 6/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL2520032 1.00 TDP1 (0.40) TDP1TSHRDPP4DPP8DPP9
Hydrochloric Acid SCHEMBL8565446 0.98 TDP1 (0.39) TDP1TSHRDPP4DPP8DPP9
Hydrochloric Acid SCHEMBL8565445 0.98 TDP1 (0.39) TDP1TSHRDPP4DPP8DPP9
SCHEMBL10458429 0.92 TDP1 (0.36) TDP1TSHRDPP4DPP8DPP9
SCHEMBL2730560 0.82 TDP1 (0.43) TDP1TSHRDPP4MAPTCACNA1B
SCHEMBL2519765 0.82 TDP1 (0.43) TDP1TSHRDPP4MAPTCACNA1B
SCHEMBL27587694 0.82 TDP1 (0.38) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL5135717 0.81 TDP1 (0.42) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL1162237 0.81 TDP1 (0.42) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL2521938 0.81 TDP1 (0.42) TDP1TSHRMAPTCACNA1BAPBA1

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
US-7589170-B1 Synthesis of cyclic peptides THE UNIVERSITY OF QUEENSLAND (AU) 2009-09-15 US disclosed
EP-1115738-A4 SYNTHESIS OF CYCLIC PEPTIDES UNIV QUEENSLAND (AU) 2004-09-01 EP disclosed
EP-1115738-A1 SYNTHESIS OF CYCLIC PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2001-07-18 EP disclosed
WO-2000018790-A1 SYNTHESIS OF CYCLIC PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2000-04-06 WO disclosed
EP-0605434-B1 IMIDAZO (4,5-C) PYRIDINE DERIVATIVES AS PAF ANTAGONISTS BRITISH BIOTECH PHARM (GB) 1998-08-19 EP disclosed
US-5563151-A PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANALGESICS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-10-08 US disclosed
US-5446032-A Platelet activsating factor antagonist BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-08-29 US disclosed
EP-0623116-A1 AMINO ACID DERIVATIVES AS PAF-RECEPTOR ANTAGONISTS BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-11-09 EP disclosed
EP-0605434-A1 IMIDAZO (4,5-C) PYRIDINE DERIVATIVES AS PAF ANTAGONISTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1994-07-13 EP disclosed
WO-1993014072-A1 AMINO ACID DERIVATIVES AS PAF-RECEPTOR ANTAGONISTS BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-07-22 WO disclosed
WO-1993002080-A1 IMIDAZO (4,5-C) PYRIDINE DERIVATIVES AS PAF ANTAGONISTS BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-02-04 WO disclosed
US-4977272-A Radiation absorbers THE STANDARD OIL COMPANY (US) 1990-12-11 US disclosed