SCHEMBL6230142

SCHEMBL6230142

CCOC(=O)C(C(=O)OCC)C(c1ccc(OC)cc1OCC1CC1)C(OCC)OCC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.39
PDE4A P27815 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
RXRA P19793 1/20 0.37
ELANE P08246 1/20 0.37
FFAR1 O14842 5/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL6231663 0.80 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL31733652 0.71 PARP15 (0.45) PDE4BPDE4APDE4CPDE4DPARP15
Hydrochloric Acid SCHEMBL31733434 0.70 TDP1 (0.44) PDE4BPDE4APDE4CPDE4DPARP15
Hydrochloric Acid SCHEMBL31733389 0.70 TDP1 (0.44) PDE4BPDE4APDE4CPDE4DPARP15
SCHEMBL17204380 0.69 PARP15 (0.55) PDE4BPDE4APDE4CPDE4DPARP15
SCHEMBL17204624 0.68 PARP10 (0.54) PDE4BPDE4APDE4CPDE4DPARP15
SCHEMBL981699 0.67 TDP1 (0.46) PDE4BPDE4APDE4CPDE4DPARP15
SCHEMBL17131595 0.67 TDP1 (0.46) PDE4BPDE4APDE4CPDE4DPARP15
SCHEMBL31733722 0.67 CACNA1B (0.44) PDE4BPDE4APDE4CPDE4DPARP15
SCHEMBL21494488 0.67 MTNR1A (0.46) ALDH1A1TSHRMAPK1

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