SCHEMBL17212977

SCHEMBL17212977

CC(C)Oc1ccc(-c2nnc(SCC(=O)O)[nH]2)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 9/20 0.56
XDH P47989 4/20 0.51
PDK1 Q15118 1/20 0.43
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TYMP P19971 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
SCHEMBL14907891 0.89 GRK6 (0.67) GRK6
SCHEMBL17213085 0.83 HSD17B10 (0.41) GRK6ALOX15HSD17B10
SCHEMBL14907940 0.83 GRK6 (0.65) GRK6TYMP
SCHEMBL17213028 0.82 GRK6 (0.49) GRK6
SCHEMBL14907758 0.82 GRK6 (0.64) GRK6ALOX15HSD17B10TYMP
SCHEMBL14907730 0.81 GRK6 (0.71) GRK6
SCHEMBL21764068 0.80 GRK6 (0.39) GRK6ALOX15HSD17B10
SCHEMBL14907778 0.78 GRK6 (0.67) GRK6
SCHEMBL17213125 0.76 GRK6 (0.46) GRK6XDHPDK1ALOX15
SCHEMBL6405125 0.76 TYMP (0.60) GRK6TYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015164415-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-10-29 WO disclosed