SCHEMBL8068896

SCHEMBL8068896

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(=O)c1cc(OCOC)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MITF O75030 1/20 0.40
UCHL1 P09936 1/20 0.39
MAPT P10636 4/20 0.39
POLB P06746 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 3/20 0.38
KCNMA1 Q12791 1/20 0.38
RECQL P46063 1/20 0.38
HPGD P15428 3/20 0.38
CYP19A1 P11511 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 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
SCHEMBL8066781 0.94 UCHL1 (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7817398 0.93 MAPT (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7825516 0.90 SMN1; SMN2 (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7831313 0.90 SMN1; SMN2 (0.45) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7831799 0.90 POLB (0.40) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5511589 0.89 MAPT (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8066745 0.88 POLB (0.44) ALDH1A1SMN1; SMN2UCHL1MAPTPOLB
SCHEMBL7824695 0.86 UCHL1 (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8071738 0.85 ALDH1A1 (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7823456 0.85 SMN1; SMN2 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6093714-A AN ANTIALLERGENS FOR TREATMENT AND PREVENTION OF BRONCHIAL ASTHMA, ECZEMA, HIVES, ALLERGIC GASTROINTESTINAL TROUBLES, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS MEIJI SEIKA KAISHA, LTD. (JP) 2000-07-25 US disclosed
EP-0834512-A1 TRICYCLIC BENZAZEPINE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1998-04-08 EP disclosed