SCHEMBL6231820

SCHEMBL6231820

CCOC(=O)C(C(=O)OCC)C(c1ccc(OC)c(OCc2ccccc2)c1)C(OCC)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
F2 P00734 3/20 0.46
F10 P00742 3/20 0.46
PRSS1 P07477 3/20 0.46
F7 P08709 3/20 0.46
PRSS2 P07478 2/20 0.46
F3 P13726 2/20 0.46
PRSS3 P35030 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44

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
SCHEMBL6234094 0.90 NPSR1 (0.48) SMN1; SMN2LMNANPSR1MAPTPDE4A
SCHEMBL6229069 0.87 PDE4B (0.52) F2SMN1; SMN2LMNANPSR1MAPT
SCHEMBL498303 0.86 CA12 (0.46) SMN1; SMN2LMNAMAPTPDE4APDE4B
SCHEMBL6228242 0.84 PDE4B (0.43) SMPD1SMN1; SMN2LMNAPDE4APDE4B
SCHEMBL6227434 0.84 SMN1; SMN2 (0.45) SMN1; SMN2LMNAPDE4APDE4BPDE4C
SCHEMBL6229711 0.84 PDE4A (0.39) SMN1; SMN2LMNANPSR1MAPTPDE4A
SCHEMBL6229002 0.83 PDE4B (0.39) SMN1; SMN2LMNANPSR1MAPTPDE4A
SCHEMBL6228363 0.82 PDE4A (0.40) SMN1; SMN2LMNANPSR1MAPTPDE4A
SCHEMBL6231663 0.81 PDE4B (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL6232542 0.81 PDE4A (0.53) SMPD1HDAC1HDAC8HDAC6F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0933366-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2005-04-06 EP disclosed
US-6235739-B1 ANTIINFLAMMATORY AGENTS; ANTIHISTAMINES; SKIN DISORDERS NIKKEN CHEMICALS CO., LTD. (JP) 2001-05-22 US disclosed
EP-0933366-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-08-04 EP disclosed