SCHEMBL4758364

SCHEMBL4758364

OC(CCl)COC12CC3CC(C1)CC(OCC(O)CCl)(C3)C2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL13237517 0.76
SCHEMBL1889456 0.74 LMNA (0.32) MEN1ALDH1A1KMT2ALMNA
SCHEMBL15256802 0.72 TSHR (0.39) MEN1ALDH1A1KMT2A
SCHEMBL4136805 0.72 ALDH1A1 (0.38) MEN1ALDH1A1KMT2ALMNA
SCHEMBL15256856 0.71 TSHR (0.41) ALDH1A1
SCHEMBL1888930 0.71 SLC22A2 (0.32)
SCHEMBL13649515 0.71 NPSR1 (0.33) MEN1ALDH1A1KMT2A
SCHEMBL19809081 0.70 PKM (0.31)
SCHEMBL3452110 0.70 DPP8 (0.30)
SCHEMBL3452479 0.69

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
JP-2008100944-A HALOHYDRIN COMPOUND TOKUYAMA CORP 2008-05-01 JP disclosed