SCHEMBL7683603

SCHEMBL7683603

CCOC(=O)C1CCC(CNC(=O)c2cccnc2Oc2cccc(Cl)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK8 P45983 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2C19 P33261 1/20 0.45
HPGD P15428 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL7674925 0.90 HPGD (0.52) POLBGAAALDH1A1MAPK8KMT2A
SCHEMBL7371026 0.89 POLB (0.47) POLBGAAALDH1A1MAPK8KMT2A
SCHEMBL7364476 0.88 PARP10 (0.48) POLBGAAALDH1A1MAPK8KMT2A
SCHEMBL7362102 0.86 POLB (0.46) POLBGAAMAPK8KMT2AHPGD
SCHEMBL7371277 0.85 ALDH1A1 (0.48) POLBGAAALDH1A1MAPK8
SCHEMBL7405218 0.81 MAPK8 (0.47) POLBALDH1A1MAPK8CYP2C19
SCHEMBL7405222 0.81 MAPK8 (0.47) POLBALDH1A1MAPK8CYP2C19
SCHEMBL7368043 0.78 POLB (0.48) POLBGAAALDH1A1MAPK8
SCHEMBL3454297 0.77 CYP1A2 (0.62) POLBGAAALDH1A1KMT2ACYP2C19
SCHEMBL7679786 0.76 KMT2A (0.50) GAAMAPK8KMT2A

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