SCHEMBL13469352

SCHEMBL13469352

O=C(O)CC(CC(=O)O)C(CS)(CC(=O)O)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
ANPEP P15144 2/20 0.31
ENPEP Q07075 2/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CPT2 P23786 1/20 0.30
ACLY P53396 1/20 0.30
GABRR1 P24046 2/20 0.30
LMNA P02545 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
SCHEMBL9372723 0.85 TDP1 (0.46) TDP1SLC22A6SMN1; SMN2ALDH1A1HMGCR
SCHEMBL9474321 0.83 TDP1 (0.43) TDP1SLC22A6SMN1; SMN2ALDH1A1HMGCR
SCHEMBL10520915 0.73 TDP1 (0.43) TDP1SLC22A6SMN1; SMN2ALDH1A1HMGCR
Ammonia Solution, Strong SCHEMBL11416138 0.71 LMNA (0.43) TDP1SLC22A6ALDH1A1ADRA1ACYP2D6
SCHEMBL10520908 0.69 SLC22A6 (0.46) TDP1SLC22A6SMN1; SMN2ALDH1A1HMGCR
SCHEMBL750130 0.67 TDP1 (0.42) TDP1SLC22A6SMN1; SMN2ALDH1A1HMGCR
SCHEMBL7999396 0.65 TDP1 (0.40) TDP1SLC22A6SMN1; SMN2ALDH1A1HMGCR
SCHEMBL396503 0.65 TDP1 (0.40) TDP1SLC22A6SMN1; SMN2ALDH1A1HMGCR
SCHEMBL10902910 0.65 TDP1 (0.40) TDP1SLC22A6SMN1; SMN2ALDH1A1HMGCR
SCHEMBL3336391 0.64 TDP1 (0.39) TDP1SLC22A6SMN1; SMN2ALDH1A1HMGCR

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
US-20120264961-A1 FE3O4-M(AU-LIKE)-NANOPARTICLES FOR ANTIBODY-CONSERVING TARGET-SPECIFIC PLATIN DELIVERY BROWN UNIVERSITY (US) 2012-10-18 US disclosed