SCHEMBL7674928

SCHEMBL7674928

CC(C)(C)OC(=O)C=C(O)c1cccnc1Oc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL7674926 1.00 KMT2A (0.51) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL7370306 0.84 KMT2A (0.58) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL7370310 0.84 KMT2A (0.58) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL2779361 0.77 KMT2A (0.65) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL7674701 0.76 KMT2A (0.64) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL7367287 0.74 KMT2A (0.47) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL7373227 0.74 TDP1 (0.76) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL29125555 0.73 KMT2A (0.60) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL29719568 0.73 KMT2A (0.60) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL4165132 0.73 RAB9A (0.74) KMT2APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed