SCHEMBL28035406

SCHEMBL28035406

CCC(O)C(CC(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.42
GPR84 Q9NQS5 4/20 0.38
MAPT P10636 1/20 0.37
GABRR1 P24046 2/20 0.36
LMNA P02545 1/20 0.36
FFAR3 O14843 1/20 0.35
TP53 P04637 1/20 0.33
FOLH1 Q04609 1/20 0.33

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
SCHEMBL17908009 0.83 SLC22A6 (0.46) TDP1SMN1; SMN2SLC22A6GPR84MAPT
SCHEMBL3837519 0.82 TDP1 (0.42) TDP1GPR84FFAR3TP53
SCHEMBL2956099 0.82 TDP1 (0.68) TDP1SMN1; SMN2SLC22A6MAPTGABRR1
SCHEMBL687714 0.82 TDP1 (0.42) TDP1GPR84FFAR3TP53
SCHEMBL10474787 0.82 TDP1 (0.54) TDP1SMN1; SMN2SLC22A6GPR84LMNA
SCHEMBL13539674 0.81 TDP1 (0.48) TDP1SMN1; SMN2SLC22A6GPR84MAPT
SCHEMBL1999411 0.81 TDP1 (0.52) TDP1SMN1; SMN2SLC22A6GPR84MAPT
SCHEMBL9782163 0.81 TDP1 (0.52) TDP1SMN1; SMN2SLC22A6GPR84MAPT
SCHEMBL10892131 0.81 TDP1 (0.52) TDP1SMN1; SMN2SLC22A6GPR84MAPT
SCHEMBL3245749 0.80 TDP1 (0.74) TDP1SMN1; SMN2SLC22A6GPR84MAPT

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
CN-104884050-A pharmaceutical composition for treating HIV infection OTKRYTOE AKTSIONERNOE OBSCHESTVO FARMASYNTEZ 2015-09-02 CN disclosed