SCHEMBL6232206

SCHEMBL6232206

COc1ccc(C2CC(=O)NN=C2c2ccccc2)cc1OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.54
PDE4B Q07343 16/20 0.54
PDE4C Q08493 16/20 0.54
PDE4D Q08499 16/20 0.54
CYP3A4 P08684 2/20 0.53
VEGFA P15692 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
CREBBP Q92793 1/20 0.53
KDM4E B2RXH2 1/20 0.53
PDE5A O76074 1/20 0.53
TNF P01375 1/20 0.53
MAPK1 P28482 1/20 0.53
BLM P54132 1/20 0.53
PDE1A P54750 1/20 0.53
PDE1B Q01064 1/20 0.53

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
SCHEMBL498001 0.74 PDE4B (0.60) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL8871280 0.73 KDM4E (0.46) ALDH1A1MAPTKDM4EKMT2APDE3B
SCHEMBL3939337 0.73 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL19586702 0.72 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL19607841 0.72 PDE4B (0.49) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL3946685 0.72 PDE3A (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3173894 0.72 PDE4B (0.77) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL1373505 0.72 PDE3B (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL19607768 0.71 PDE4B (0.54) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL6229681 0.71 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DALDH1A1

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