SCHEMBL18948978

SCHEMBL18948978

C=C(CCC(C)C)N(C)CCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CA1 P00915 2/20 0.34

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
SCHEMBL22509628 0.87 KDM4C (0.33) CA1
SCHEMBL22986115 0.87 CA1 (0.32) CA1
SCHEMBL21217045 0.87 ALDH1A1 (0.33) ALDH1A1
SCHEMBL25971286 0.85 KDM4C (0.35) CA1
SCHEMBL25880951 0.84 EPHX2 (0.32) CA1
SCHEMBL26049439 0.82 DNM1 (0.32) ALDH1A1
SCHEMBL13493064 0.82 CA1 (0.34) CA1
SCHEMBL15132013 0.82 ALDH1A1 (0.40) ALDH1A1
SCHEMBL25110743 0.81
SCHEMBL22986134 0.81 DNM1 (0.34)

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-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed