SCHEMBL6033665

SCHEMBL6033665

O=C1CCC([AsH2])(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR3 O14843 1/20 0.36
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 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
SCHEMBL1111070 0.78
SCHEMBL2311457 0.75 FFAR3 (0.62) MEN1CYP2C9KMT2AFFAR3TRIM24
SCHEMBL10996234 0.74 MEN1 (0.39) MEN1CYP2C9KMT2AFFAR3TRIM24
SCHEMBL4783162 0.73
SCHEMBL5791733 0.73
SCHEMBL27720142 0.72 MEN1 (0.38) MEN1CYP2C9KMT2AFFAR3TRIM24
SCHEMBL1768687 0.70 NSD2 (0.42) MEN1CYP2C9KMT2A
SCHEMBL17049038 0.67 MEN1 (0.34) MEN1CYP2C9KMT2AFFAR3
Ethylene SCHEMBL20239647 0.67 NSD2 (0.39) MEN1CYP2C9KMT2A
SCHEMBL5822001 0.67 FFAR3 (0.38) FFAR3

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-2005122379-A9 ALPHA-4 BETA-1 INTEGRIN LIGANDS FOR IMAGING AND THERAPY UNIV CALIFORNIA (US) 2006-03-09 WO disclosed