SCHEMBL21456762

SCHEMBL21456762

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
PYGL P06737 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.31

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
SCHEMBL17402238 0.85 TDP1 (0.46) TDP1PYGLSMN1; SMN2MMP1MMP2
SCHEMBL13278365 0.78 TSHR (0.43) TDP1PYGL
SCHEMBL8127304 0.78 TDP1 (0.52) TDP1SMN1; SMN2MMP1MMP2MMP3
SCHEMBL9616895 0.78 TDP1 (0.52) TDP1SMN1; SMN2MMP1MMP2MMP3
SCHEMBL28381885 0.75 TDP1 (0.37) TDP1PYGLSMN1; SMN2MMP1MMP2
SCHEMBL9995363 0.74 TDP1 (0.48) TDP1SMN1; SMN2MMP1MMP2MMP3
SCHEMBL10878073 0.74 TDP1 (0.48) TDP1SMN1; SMN2MMP1MMP2MMP3
SCHEMBL1707888 0.73 TDP1 (0.46) TDP1SMN1; SMN2MMP1MMP2MMP3
SCHEMBL6433800 0.72 TDP1 (0.56) TDP1SMN1; SMN2MMP1MMP2MMP3
SCHEMBL3472423 0.72 TDP1 (0.45) TDP1SMN1; SMN2MMP1MMP2MMP3

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
EP-3022310-B1 MICROORGANISMS AND METHODS FOR THE PRODUCTION OF FATTY ACIDS AND FATTY ACID DERIVED PRODUCTS CARGILL INC (US) 2019-10-16 EP disclosed