SCHEMBL13284580

SCHEMBL13284580

CC(C)=CCCC(CI)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.44
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.30
CYP3A4 P08684 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
SCHEMBL8768335 0.72 ALOX15 (0.48) ALOX15KMT2AMEN1CYP3A4
SCHEMBL13306722 0.71 ALOX15 (0.48) ALOX15KMT2AMEN1CYP3A4
SCHEMBL8254858 0.66 ALOX15 (0.52) ALOX15KMT2AMEN1CYP3A4
SCHEMBL19447805 0.65 ALOX15 (0.42) ALOX15KMT2AMEN1CYP3A4
SCHEMBL23987115 0.64 ALOX15 (0.56) ALOX15KMT2AMEN1CYP3A4
SCHEMBL3360768 0.64 ALOX15 (0.50) ALOX15KMT2AMEN1CYP3A4
SCHEMBL6739869 0.63
SCHEMBL6130540 0.63
SCHEMBL583687 0.62 ALOX15 (0.60) ALOX15KMT2AMEN1CYP3A4
SCHEMBL14330210 0.62 ALOX15 (0.48) ALOX15KMT2AMEN1CYP3A4

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
WO-2010080389-A1 HCV NS3 PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-07-15 WO disclosed