SCHEMBL1845186

SCHEMBL1845186

CC(C)(C)OC(=O)N(N)c1ccc(C(=O)O)c(N2C(=O)CCC2=O)n1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 1/20 0.31
CSNK2A2 P19784 1/20 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
SCHEMBL1845191 0.73 GAA (0.42) CA12CA1CA9
SCHEMBL19583659 0.70 KDM4E (0.31) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1509166 0.67 CRBN (0.36)
SCHEMBL5667071 0.67 CA12 (0.38) CA12CA1CA9GABRPGABRD
Acetone SCHEMBL4249268 0.67 CA12 (0.36) CA12CA1CA9GABRPGABRD
SCHEMBL2558802 0.66 HCAR3 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL7268096 0.66 CA12 (0.37) CA12CA1CA9GABRPGABRD
Acetone SCHEMBL20164099 0.66 CA12 (0.35) CA12CA1CA9GABRPGABRD
SCHEMBL7907251 0.64 NPSR1 (0.35)
SCHEMBL1690946 0.64 ALDH1A1 (0.39)

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-0862464-B1 AMINO ACID ANALOGS FOR TUMOR IMAGING UNIV EMORY (US) 2012-08-22 EP disclosed
EP-2324857-A1 Imaging agents for early detection of cardiovascular plaque The General Hospital Corporation (US) 2011-05-25 EP disclosed
US-20090117032-A1 Imaging Agents for Early Detection and Monitoring of Cardiovascular Plaque THE GENERAL HOSPITAL CORPORATION (US) 2009-05-07 US disclosed
US-7438891-B2 Imaging agents for early detection and monitoring of cardiovascular plaque THE GENERAL HOSPITAL CORPORATION 2008-10-21 US disclosed
US-20060140859-A1 Imaging agents for early detection and monitoring of cardiovascular plaque MASSACHUSETTS GENERAL HOSPITAL (US) 2006-06-29 US disclosed
US-7060251-B1 Imaging agents for early detection and monitoring of cardiovascular plaque THE GENERAL HOSPITAL CORPORATION (US) 2006-06-13 US disclosed
EP-0862464-A4 AMINO ACID ANALOGS FOR TUMOR IMAGING UNIV EMORY (US) 2001-07-25 EP disclosed
EP-1011738-A1 IMAGING AGENTS FOR EARLY DETECTION OF CARDIOVASCULAR PLAQUE THE GENERAL HOSPITAL CORPORATION (US) 2000-06-28 EP disclosed
WO-1999012579-A1 IMAGING AGENTS FOR EARLY DETECTION AND MONITORING OF CARDIOVASCULAR PLAQUE THE GENERAL HOSPITAL CORPORATION (US) 1999-03-18 WO disclosed
US-5817776-A TECHNETIUM 99 COMPLEXES, SINGLE PHOTON EMISSION TOMOGRAPHY EMORY UNIVERSITY (US) 1998-10-06 US disclosed
EP-0862464-A1 AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 1998-09-09 EP disclosed
WO-1997017092-A1 AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 1997-05-15 WO disclosed