SCHEMBL2579191

SCHEMBL2579191

CC12CCC(C(=O)N3CCc4onc(C(=O)NCCN5CCCC5)c4C3)(OC1=O)C2(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
GAA P10253 1/20 0.48
HSP90AA1 P07900 8/20 0.45
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL4270004 0.82 POLB (0.53) POLBGAAALDH1A1TSHRL3MBTL1
SCHEMBL2584836 0.72 HSP90AA1 (0.49) POLBGAAHSP90AA1ALDH1A1TSHR
SCHEMBL2576088 0.69 HSP90AA1 (0.54) POLBGAAHSP90AA1ALDH1A1LMNA
SCHEMBL2586009 0.69 HSP90AA1 (0.53) POLBGAAHSP90AA1ALDH1A1NPSR1
SCHEMBL2579235 0.68 HSP90AA1 (0.51) GAAHSP90AA1ALDH1A1TSHRHDAC3
SCHEMBL2586692 0.68 RAB9A (0.48) GAAHSP90AA1ALDH1A1TSHRLMNA
SCHEMBL2584636 0.67 NPC1 (0.44) POLBGAAHSP90AA1ALDH1A1TSHR
SCHEMBL2587431 0.66 HSP90AA1 (0.46) GAAHSP90AA1ALDH1A1LMNAKMT2A
SCHEMBL2588891 0.63 HSP90AA1 (0.62) POLBHSP90AA1ALDH1A1TSHRHDAC3
SCHEMBL2588237 0.62 SMN1; SMN2 (0.47) POLBGAAHSP90AA1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US claimed
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed