SCHEMBL5249394

SCHEMBL5249394

CC(C)(C)OC(=O)CC(=O)c1ccc(C(C)(C)C)cc1.CC(C)(C)OC(=O)CC(O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
LMNA P02545 5/20 0.48
HSD17B10 Q99714 2/20 0.48
RECQL P46063 2/20 0.48
ALOX15 P16050 1/20 0.48
APEX1 P27695 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 5/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
NR1H4 Q96RI1 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
KCNH2 Q12809 1/20 0.39
HDAC1 Q13547 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
HSP90AA1 P07900 1/20 0.37
THRB P10828 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
SCHEMBL5922341 0.89 FFAR1 (0.40) ALDH1A1LMNAHSD17B10RECQLALOX15
SCHEMBL3999023 0.86 RAB9A (0.62) ALDH1A1LMNAHSD17B10RECQLALOX15
SCHEMBL276357 0.80 MAPT (0.42) TDP1MAPTTSHR
SCHEMBL21616600 0.75 PTPN1 (0.57) ALDH1A1LMNAHSD17B10RECQLALOX15
SCHEMBL8770937 0.75 AOC3 (0.42) ALDH1A1MAPTHTTHDAC1
SCHEMBL8770922 0.75 AOC3 (0.42) LMNATSHRTHRB
SCHEMBL8770939 0.75 NPC1 (0.39) RECQLNPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL2633940 0.75 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10RECQLALOX15
SCHEMBL2633915 0.75 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10RECQLALOX15
SCHEMBL2634592 0.75 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10RECQLALOX15

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
EP-1780196-A2 Pyridine derivatives for use as vanilloid receptor ligands Amgen, Inc (US) 2007-05-02 EP disclosed
EP-1764358-A2 Cyclic amides as vanilloid receptor ligands and their use in treatments of inflammatory and neuropathic pain Amgen, Inc (US) 2007-03-21 EP disclosed