SCHEMBL8224013

SCHEMBL8224013

C=C(OC(C)(C)C)N1CCSc2ccc(/C=C/C)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 19/20 0.43
HDAC1 Q13547 1/20 0.38

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
SCHEMBL6867211 0.87 HDAC1 (0.50) RYR2HDAC1
SCHEMBL8195959 0.82 RYR2 (0.45) RYR2
SCHEMBL8218006 0.82 ESR2 (0.46) RYR2
SCHEMBL8221637 0.81 RYR2 (0.63) RYR2
SCHEMBL13622120 0.79 RYR2 (0.48) RYR2
SCHEMBL12920652 0.79 RYR2 (0.51) RYR2
SCHEMBL8219113 0.79 RYR2 (0.42) RYR2
SCHEMBL8203767 0.78 ABHD6 (0.41) RYR2
SCHEMBL8203545 0.77 RYR2 (0.53) RYR2
SCHEMBL8199845 0.76 HSD17B10 (0.49) RYR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012019076-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING CARDIAC ISCHEMIA/REPERFUSION INJURY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-02-09 WO disclosed
WO-2008021432-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF CONDITIONS AFFECTING THE NERVOUS SYSTEM THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-02-21 WO disclosed
WO-2008021439-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF CARDIAC HYPERTROPHY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-02-21 WO disclosed