SCHEMBL27766901

SCHEMBL27766901

CC(C)C(=O)Oc1c[nH]cn1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.38
ALOX15 P16050 1/20 0.33
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31

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
SCHEMBL29016737 0.86 NOS2 (0.35)
SCHEMBL2143933 0.79 KDM4E (0.33)
SCHEMBL7262842 0.79
Hydrochloric Acid SCHEMBL9623702 0.77 SLC22A6 (0.33)
Hydrochloric Acid SCHEMBL28497347 0.77 SLC22A6 (0.33)
SCHEMBL27502205 0.77 PDE5A (0.33)
SCHEMBL1509564 0.76
SCHEMBL29092928 0.76
SCHEMBL4605821 0.75 ALDH1A1 (0.40) ALOX15
SCHEMBL6602546 0.75

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
CN-101605777-A Imidazoles as aldosterone synthase inhibitors NOVARTIS AG (CH) 2009-12-16 CN disclosed