SCHEMBL18400810

SCHEMBL18400810

N#C/C(=C\C1CCC(C2CCCC2)CC1)C(=O)OC1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.33

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
SCHEMBL22508426 0.94 EPHX1 (0.33) EPHX1
SCHEMBL19544281 0.91 EPHX1 (0.36) EPHX1
SCHEMBL4892047 0.79 EPHX1 (0.41) EPHX1
SCHEMBL4892042 0.73 APP (0.36)
SCHEMBL12921463 0.71 APP (0.37)
SCHEMBL973915 0.71 APP (0.37)
SCHEMBL973914 0.71 APP (0.37)
SCHEMBL19194988 0.71 POLB (0.34)
SCHEMBL7105360 0.69 ALDH1A1 (0.52)
SCHEMBL12292488 0.69 CYP2C9 (0.34) EPHX1

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-9551722-B2 Amyloid binding agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-24 US disclosed