SCHEMBL7974281

SCHEMBL7974281

[CH2]CC(C)CCC(Br)C(C)(C)O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7974373 0.80 ALDH1A1 (0.39) ALOX15
SCHEMBL11407913 0.76
SCHEMBL3298799 0.73 MEN1 (0.31) MEN1CYP3A4ALOX15KMT2A
SCHEMBL5985112 0.72 LMNA (0.30)
SCHEMBL3942608 0.70 ALDH1A1 (0.43) MEN1CYP3A4ALOX15KMT2A
SCHEMBL11466419 0.68 MEN1 (0.42) MEN1CYP3A4ALOX15KMT2A
SCHEMBL11238093 0.68 LMNA (0.30)
SCHEMBL4808363 0.68 LMNA (0.43) MEN1CYP3A4ALOX15KMT2A
SCHEMBL1968890 0.66 TSHR (0.46)
SCHEMBL5090254 0.66

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-2001017983-A2 METHOD FOR PRODUCING ROSE OXIDE USING HALOHYDRINS OR EPOXIDES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2001-03-15 WO disclosed