SCHEMBL20033710

SCHEMBL20033710

CC1(C)CCC(NC(C)(C)C)C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 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
SCHEMBL21166029 0.86 EPHX2 (0.35) EPHX2
SCHEMBL23765211 0.78
SCHEMBL21166078 0.78
SCHEMBL20033751 0.76 IDH1 (0.38) EPHX2
SCHEMBL16748090 0.73
SCHEMBL20940073 0.73 ESR2 (0.34)
SCHEMBL19766543 0.73 ESR2 (0.34)
SCHEMBL15081194 0.73
Hydrochloric Acid SCHEMBL31716940 0.71 EPHX2 (0.32) EPHX2
SCHEMBL19116204 0.71

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-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 US disclosed