SCHEMBL14610885

SCHEMBL14610885

C=C(C)C(=O)OP(C)(=O)OC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EPHX1 P07099 1/20 0.31
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
SCHEMBL28399483 0.75 ALDH1A1 (0.48) ALDH1A1
SCHEMBL585584 0.75 ACHE (0.61) ACHENPSR1MEN1KMT2AGAA
SCHEMBL4611584 0.74 ACHE (0.43) ACHEALDH1A1NPSR1MEN1KMT2A
SCHEMBL575222 0.73 ACHE (0.58) ACHENPSR1MEN1KMT2AGAA
SCHEMBL16297135 0.72 EPHX1 (0.46) ALDH1A1EPHX1
SCHEMBL887989 0.72 EPHX1 (0.46) ALDH1A1EPHX1
SCHEMBL1052594 0.72 EPHX1 (0.46) ALDH1A1EPHX1
SCHEMBL22480 0.72 EPHX1 (0.46) ALDH1A1EPHX1
SCHEMBL28878275 0.72 EPHX1 (0.46) ALDH1A1EPHX1
SCHEMBL18822970 0.72 EPHX1 (0.46) ALDH1A1EPHX1

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-2007020642-A2 A METHOD OF PREPARING FUNCTIONALIZED MOLECULARLY IMPRINTED POLYMERS USING LABILE LINKING SEMOREX INC. (US) 2007-02-22 WO disclosed