SCHEMBL2484624

SCHEMBL2484624

CCCCOC(=O)NOCC([NH])=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
ACHE P22303 14/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.41
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7769869 0.84 EPHX1 (0.47) EPHX1ACHEALDH1A1RAB9ANPC1
SCHEMBL2484625 0.84 EPHX1 (0.47) EPHX1ACHEALDH1A1RAB9ANPC1
SCHEMBL6576436 0.83 EPHX1 (0.53) EPHX1ACHEALDH1A1RAB9ANPC1
SCHEMBL28481312 0.81 EPHX1 (0.52) EPHX1ACHEALDH1A1RAB9ANPC1
SCHEMBL7256932 0.76 ALDH1A1 (0.59) EPHX1ACHEALDH1A1RAB9ANPC1
SCHEMBL12068197 0.76 EPHX1 (0.50) EPHX1ACHEALDH1A1RAB9ANPC1
SCHEMBL4957666 0.75 EPHX1 (0.50) EPHX1ACHEALDH1A1RAB9ANPC1
SCHEMBL11525727 0.74 EPHX1 (0.48) EPHX1ACHEALDH1A1RAB9ANPC1
SCHEMBL28056786 0.74 EPHX1 (0.48) EPHX1ACHEALDH1A1RAB9ANPC1
SCHEMBL2650733 0.74 ACHE (0.56) EPHX1ACHEALDH1A1ATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376123-A2 OLIGOSACCHARIDE-PROTEIN CONJUGATES Genzyme Corporation (US) 2011-10-19 EP disclosed
WO-2010075010-A2 OLIGOSACCHARIDE-PROTEIN CONJUGATES GENZYME CORPORATION (US) 2010-07-01 WO disclosed