SCHEMBL3080385

SCHEMBL3080385

O=C(O)c1cccc(C(=O)OCCC(O)CCCCO)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
SLC7A5 Q01650 1/20 0.44
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.38
FOLH1 Q04609 3/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL3080382 0.95 CYP4F2 (0.46) TDP1SLC7A5CYP4F2CYP4A11ALDH1A1
SCHEMBL3096179 0.91 SLC7A5 (0.47) TDP1SLC7A5CYP4F2CYP4A11ALDH1A1
SCHEMBL3087849 0.88 ALDH1A1 (0.49) TDP1SLC7A5CYP4F2CYP4A11ALDH1A1
SCHEMBL3098923 0.86 TDP1 (0.44) TDP1CYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL1475118 0.86 TDP1 (0.62) TDP1SLC7A5CYP4F2CYP4A11LMNA
SCHEMBL3096166 0.84 SLC7A5 (0.48) TDP1SLC7A5CYP4F2CYP4A11ALDH1A1
SCHEMBL1474816 0.84 TDP1 (0.61) TDP1SLC7A5CYP4F2CYP4A11LMNA
SCHEMBL11723807 0.83 TDP1 (0.62) TDP1SLC7A5CYP4F2CYP4A11LMNA
SCHEMBL3098911 0.83 TDP1 (0.44) TDP1CYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL3087844 0.82 ALDH1A1 (0.50) SLC7A5CYP4F2CYP4A11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799892-B2 Method of making polybutylene terephthalate and compositions and articles comprising the same SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-09-21 US claimed
US-20090275698-A1 Method of Making Polybutylene Terephthalate and Compositions and Articles Comprising the Same SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2009-11-05 US claimed
US-7799892-B2 Method of making polybutylene terephthalate and compositions and articles comprising the same SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-09-21 US disclosed
US-20090275698-A1 Method of Making Polybutylene Terephthalate and Compositions and Articles Comprising the Same SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2009-11-05 US disclosed