SCHEMBL11366356

SCHEMBL11366356

CC1(C)CC(NCCCCCCNC(=O)CCCCCCCCC(=O)NCCCCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.43
GAA P10253 2/20 0.43
SLC2A1 P11166 1/20 0.42
CASP2 P42575 1/20 0.40
FAAH O00519 2/20 0.40
HDAC8 Q9BY41 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
PRCP P42785 1/20 0.39
NAAA Q02083 1/20 0.38
DNM1 Q05193 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL10444804 0.85 SLC2A1 (0.46) EPHX2GAASLC2A1POLBHTT
SCHEMBL10570724 0.85 SLC2A1 (0.46) EPHX2GAASLC2A1POLBHTT
SCHEMBL10365388 0.85 SLC2A1 (0.46) EPHX2GAASLC2A1POLBHTT
SCHEMBL10444980 0.83 GAA (0.46) EPHX2GAASLC2A1POLBHTT
SCHEMBL9375619 0.83 GAA (0.42) GAASLC2A1POLBHTT
SCHEMBL10780893 0.82 SLC2A1 (0.52) GAASLC2A1POLB
SCHEMBL38851 0.82 SLC2A1 (0.52) GAASLC2A1POLB
SCHEMBL8432492 0.82 SLC2A1 (0.52) GAASLC2A1POLB
SCHEMBL9461938 0.82 SLC2A1 (0.52) GAASLC2A1POLB
SCHEMBL8432690 0.80 SLC2A1 (0.50) GAASLC2A1POLB

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
US-4256627-A COMPRISING COMPLEXES OF POLYMERS HAVING UNITS CONTAINING ALKYLPIPERIDINE GROUPS AND NICKEL OR COBALT CARBOXYLATES OR ENOLATES CIBA-GEIGY CORPORATION (US) 1981-03-17 US disclosed