SCHEMBL396562

SCHEMBL396562

CC1=C(C(=O)C2COC(C)(C)O2)C(c2ccc(C#N)cc2)N(C(C)C(=O)O)C(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.55
CYP2C9 P11712 4/20 0.55
CYP3A4 P08684 3/20 0.52

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
SCHEMBL394312 0.86 ELANE (0.75) ELANECYP2C9CYP3A4
SCHEMBL1243941 0.86 ELANE (0.71) ELANECYP2C9CYP3A4
SCHEMBL8280762 0.83 ELANE (0.64) ELANECYP2C9CYP3A4
SCHEMBL394642 0.82 ELANE (0.73) ELANECYP2C9CYP3A4
SCHEMBL14266844 0.82 ELANE (0.73) ELANECYP2C9CYP3A4
SCHEMBL8280075 0.82 ELANE (0.62) ELANECYP2C9CYP3A4
SCHEMBL15913259 0.78 ELANE (0.78) ELANE
SCHEMBL3482010 0.77 ELANE (0.69) ELANECYP2C9CYP3A4
SCHEMBL3482196 0.76 ELANE (0.56) ELANECYP2C9CYP3A4
SCHEMBL3482582 0.75 ELANE (0.59) ELANECYP2C9CYP3A4

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-8101615-B2 Chronic obstructive pulmonary diseases, acute coronary syndrome, acute myocardial infarction, heart failure BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-24 US disclosed