SCHEMBL3074157

SCHEMBL3074157

O=CC(CC(=O)O)OC(C=O)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GABRR1 P24046 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.33
PGD P52209 1/20 0.32
FOLH1 Q04609 2/20 0.32
ALOX15 P16050 2/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP2D6 P10635 1/20 0.30
HDAC2 Q92769 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
SCHEMBL15312628 0.79 SLC22A6 (0.38) SLC22A6TDP1SMN1; SMN2GABRR1LMNA
SCHEMBL10768199 0.79
SCHEMBL13409448 0.75 SLC22A6 (0.35) SLC22A6TDP1SMN1; SMN2GABRR1LMNA
SCHEMBL9507774 0.75 PGD (0.36) SLC22A6TDP1SMN1; SMN2PGDALOX15
SCHEMBL25407239 0.72 PGD (0.42) SLC22A6TDP1SMN1; SMN2PGD
SCHEMBL25407234 0.72 PGD (0.42) SLC22A6TDP1SMN1; SMN2PGD
SCHEMBL27679696 0.71 SLC22A6 (0.45) SLC22A6TDP1SMN1; SMN2GABRR1LMNA
SCHEMBL1289476 0.71
SCHEMBL8169661 0.69
SCHEMBL14539493 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759008-B2 Robust, self-assembled, biocompatible films LOS ALAMOS NATIONAL SECURITY, LLC (US) 2014-06-24 US claimed
US-20100267170-A1 ROBUST, SELF-ASSEMBLED, BIOCOMPATIBLE FILMS LOS ALAMOS NATIONAL SECURITY, LLC (US) 2010-10-21 US claimed
US-20080003694-A1 Robust, self-assembled, biocompatible films TRIAD NATIONAL SECURITY, LLC 2008-01-03 US claimed