SCHEMBL807151

SCHEMBL807151

COC(=O)C(=O)N1CCOc2ccc(OC(F)(F)F)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.47
RYR2 Q92736 2/20 0.47
PIK3CA P42336 4/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
GPR142 Q7Z601 4/20 0.41
CREBBP Q92793 2/20 0.40
ABCB1 P08183 1/20 0.39

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
SCHEMBL10070995 0.89 RIPK1 (0.48) RIPK1RYR2PIK3CAESR1ESR2
SCHEMBL806996 0.87 RYR2 (0.60) RIPK1RYR2GPR142CREBBP
SCHEMBL10074955 0.86 RIPK1 (0.47) RIPK1PIK3CAESR1ESR2GPR142
SCHEMBL14023336 0.86 RIPK1 (0.48) RIPK1PIK3CAESR1ESR2GPR142
SCHEMBL10070490 0.83 RIPK1 (0.44) RIPK1RYR2PIK3CAGPR142
SCHEMBL10075222 0.82 RIPK1 (0.46) RIPK1PIK3CAESR2
SCHEMBL10070492 0.79 RYR2 (0.46) RIPK1RYR2PIK3CAGPR142
SCHEMBL10074953 0.78 RIPK1 (0.46) RIPK1PIK3CAESR2
SCHEMBL807044 0.77 RYR2 (0.58) RIPK1RYR2ESR1ESR2GPR142
SCHEMBL806685 0.75 CYP3A4 (0.43) RIPK1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012037105-A1 METHODS OF TREATING, AMELIORATING OR PREVENTING STRESS-INDUCED NEURONAL DISORDERS AND DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-03-22 WO disclosed
WO-2012019071-A1 METHODS OF PREVENTING AND TREATING SARCOPENIA THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-02-09 WO disclosed
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-2008144483-A2 AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS ARMGO PHARMA, INC. (US) 2008-11-27 WO disclosed