SCHEMBL28675286

SCHEMBL28675286

O=C(O)c1ccc(Oc2ccccc2C(F)(C(F)F)C(F)(F)F)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
PYGL P06737 12/20 0.46
PYGM P11217 13/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HPSE Q9Y251 1/20 0.41
GALK1 P51570 1/20 0.40
CASP6 P55212 1/20 0.40
MCL1 Q07820 1/20 0.40
PLEC Q15149 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL721512 0.85 POLB (0.50) POLBPYGLPYGMTDP1LMNA
SCHEMBL29264828 0.80 RIPK1 (0.38) LMNAALDH1A1
SCHEMBL29441966 0.80 POLB (0.52) POLBPYGLPYGMTDP1LMNA
SCHEMBL310396 0.80 POLB (0.52) POLBPYGLPYGMTDP1LMNA
SCHEMBL28371579 0.79 ALDH1A1 (0.50) LMNAALDH1A1KDM4E
SCHEMBL7969637 0.79 POLB (0.65) POLBPYGLPYGMTDP1ALDH1A1
SCHEMBL29664286 0.79 POLB (0.65) POLBPYGLPYGMTDP1ALDH1A1
SCHEMBL4890621 0.79 POLB (0.51) POLBPYGLPYGMTDP1LMNA
SCHEMBL31625580 0.79 POLB (0.51) POLBPYGLPYGMTDP1LMNA
SCHEMBL28675284 0.79 POLB (0.46) POLBPYGLPYGMTDP1ALDH1A1

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-107433757-B Endless belt comprising boron nitride nanotubes 施乐公司 2021-10-22 CN disclosed