SCHEMBL2047769

SCHEMBL2047769

CC1(C)CCCC(C2C(=O)CCCC2=O)N1O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31

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
SCHEMBL440458 0.72 KDM4E (0.50) KDM4EALDH1A1HSD17B10
SCHEMBL444231 0.71 KDM4E (0.48) KDM4EALDH1A1HSD17B10
SCHEMBL20961019 0.65 KDM4E (0.39) KDM4EALDH1A1HSD17B10
SCHEMBL19222727 0.65 KDM4E (0.39) KDM4EALDH1A1HSD17B10
SCHEMBL439205 0.62 CHRNB2 (0.47) ALDH1A1
SCHEMBL25524450 0.61 KDM4E (0.45) KDM4EALDH1A1HSD17B10
SCHEMBL14922437 0.59 KDM4E (0.34) KDM4EALDH1A1HSD17B10
SCHEMBL2026380 0.59
SCHEMBL4898541 0.58 CYP19A1 (0.41) CA1CA2CA4
SCHEMBL12464963 0.58 CYP19A1 (0.41) CA1CA2CA4

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
EP-2345639-A1 Cyclic hydroxylamine derivatives, their preparation and use as antioxidants ABIOGEN PHARMA S.p.A. (IT) 2011-07-20 EP disclosed
EP-2345639-A1 Cyclic hydroxylamine derivatives, their preparation and use as antioxidants ABIOGEN PHARMA S.p.A. (IT) 2011-07-20 EP disclosed
WO-2011076930-A1 CYCLIC HYDROXYLAMINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTIOXIDANTS ABIOGEN PHARMA S.P.A. (IT) 2011-06-30 WO disclosed
WO-2011076930-A1 CYCLIC HYDROXYLAMINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTIOXIDANTS ABIOGEN PHARMA S.P.A. (IT) 2011-06-30 WO disclosed