SCHEMBL6983814

SCHEMBL6983814

CCCCC1(CC)C(=O)Sc2cc(OCCC(=O)N[C@@H](C(=O)OC(C)(C)C)c3ccccc3)c(Br)cc2N(c2ccccc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
CYP2C19 P33261 1/20 0.32
PNKP Q96T60 1/20 0.30

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
SCHEMBL6987548 0.84 ELANE (0.47) ELANECYP2C19
Water SCHEMBL7515031 0.82 ELANE (0.45) ELANECYP2C19
SCHEMBL6987940 0.79 ELANE (0.48) ELANECYP2C19
SCHEMBL6992279 0.78 ELANE (0.42) ELANECYP2C19
SCHEMBL4837251 0.77 NR1H4 (0.41) ELANE
SCHEMBL5387987 0.76 NR1H4 (0.38) CYP2C19
SCHEMBL3837697 0.76 NR1H4 (0.42) ELANE
SCHEMBL4659695 0.75 NR1H4 (0.41) ELANE
SCHEMBL5224055 0.75 NR1H4 (0.39)
SCHEMBL4598886 0.74 NR1H4 (0.43) ELANE

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
EP-1345918-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
WO-2002050051-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2002-06-27 WO disclosed