SCHEMBL28060338

SCHEMBL28060338

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

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.38
FOLH1 Q04609 2/20 0.34
GABRR1 P24046 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.30
TET2 Q6N021 3/20 0.30
TET3 O43151 1/20 0.30
TET1 Q8NFU7 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
SCHEMBL3285462 0.87 TDP1 (0.72) TDP1SMN1; SMN2SLC22A6FOLH1GABRR1
SCHEMBL786389 0.87 TDP1 (0.72) TDP1SMN1; SMN2SLC22A6FOLH1GABRR1
SCHEMBL25414620 0.84 TDP1 (0.68) TDP1SMN1; SMN2SLC22A6FOLH1GABRR1
SCHEMBL1042513 0.81 TDP1 (0.72) TDP1SMN1; SMN2SLC22A6FOLH1GABRR1
SCHEMBL3904556 0.79 TDP1 (0.54) TDP1SMN1; SMN2SLC22A6FOLH1TET2
SCHEMBL17517216 0.78 TDP1 (1.00) TDP1SMN1; SMN2SLC22A6FOLH1GABRR1
SCHEMBL165643 0.78 TDP1 (1.00) TDP1SMN1; SMN2SLC22A6FOLH1GABRR1
SCHEMBL22151 0.78 TDP1 (1.00) TDP1SMN1; SMN2SLC22A6FOLH1GABRR1
SCHEMBL16925719 0.78 TDP1 (1.00) TDP1SMN1; SMN2SLC22A6FOLH1GABRR1
SCHEMBL259232 0.76 TDP1 (0.56) TDP1SMN1; SMN2SLC22A6FOLH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105754098-A Composition For Forming Alignment Film 株式会社日本显示器 2016-07-13 CN disclosed
CN-102445790-B Alignment film, composition for forming alignment film, and liquid crystal display device JAPAN DISPLAY INC. (JP) 2016-05-18 CN disclosed