SCHEMBL6402599

SCHEMBL6402599

CCN(C(=O)O)C(O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.62
HIF1A Q16665 1/20 0.60
TMEM97 Q5BJF2 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
HSP90B1 P14625 5/20 0.58
TSHR P16473 4/20 0.58
ADORA2A P29274 4/20 0.58
ADORA2B P29275 4/20 0.58
ADORA3 P0DMS8 4/20 0.58
HSP90AA1 P07900 3/20 0.58
ADORA1 P30542 3/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 1/20 0.58
THRB P10828 1/20 0.58
BLM P54132 1/20 0.58
MAPK1 P28482 2/20 0.58
CYP2C19 P33261 1/20 0.58
TMIGD3 P0DMS9 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
MEN1 O00255 1/20 0.58

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
SCHEMBL29877256 0.84 AHCY (0.61) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL28901883 0.84 AHCY (0.61) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL177772 0.84 AHCY (0.61) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL11421043 0.82 AHCY (0.62) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL2117335 0.82 AHCY (0.68) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL21837298 0.82 ADORA3 (0.63) AHCYHSP90B1TSHRADORA2AADORA2B
SCHEMBL29385449 0.82 AHCY (0.68) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL21413842 0.82 ADORA3 (0.63) AHCYHSP90B1TSHRADORA2AADORA2B
SCHEMBL800618 0.82 ADORA3 (0.63) AHCYHSP90B1TSHRADORA2AADORA2B
SCHEMBL1757011 0.82 AHCY (0.68) AHCYHIF1ATMEM97SIGMAR1HSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215529-A1 Method of treating oxidative stress-associated conditions with isopentenyl diphosphate THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2005-09-29 US disclosed
EP-1044004-A1 A2A ADENOSINE RECEPTOR AGONISTS IN COMBINATION WITH A TYPE IV PHOSPHODIESTERASE INHIBITORS THE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2000-10-18 EP disclosed
US-6113907-A MEASUREMENT OF SAMPLE, BINDING AND DETERMINATION OF HYPERICIN CONCENTRATION FOR MUSCARINIC M1 RECEPTORS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2000-09-05 US disclosed
WO-1999034804-A1 A2A ADENOSINE RECEPTOR AGONISTS THE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 1999-07-15 WO disclosed
EP-0671004-B1 ALLERGEN/INFLAMMATORY TESTING AND DIAGNOSIS EURO DPC LTD (GB) 1998-07-08 EP disclosed
EP-0671004-A1 ALLERGEN/INFLAMMATORY TESTING AND DIAGNOSIS EURO/DPC LIMITED (GB) 1995-09-13 EP disclosed
WO-1994012876-A1 ALLERGEN/INFLAMMATORY TESTING AND DIAGNOSIS EURO/DPC LIMITED (GB) 1994-06-09 WO disclosed