SCHEMBL3096166

SCHEMBL3096166

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
SERPINE1 P05121 1/20 0.41
LMNA P02545 2/20 0.41
ADRB2 P07550 7/20 0.41
ADRB1 P08588 7/20 0.41
ADRB3 P13945 7/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3096179 0.94 SLC7A5 (0.47) SLC7A5ALDH1A1TDP1CYP4F2CYP4A11
SCHEMBL3080382 0.89 CYP4F2 (0.46) SLC7A5ALDH1A1TDP1CYP4F2CYP4A11
SCHEMBL3093193 0.86 MAPK1 (0.46) ALDH1A1TDP1LMNAADRB2ADRB1
SCHEMBL3080385 0.84 TDP1 (0.46) SLC7A5ALDH1A1TDP1CYP4F2CYP4A11
SCHEMBL7946049 0.83 TDP1 (0.48) SLC7A5ALDH1A1TDP1SERPINE1LMNA
SCHEMBL3358303 0.83 SLC7A5 (0.47) SLC7A5ALDH1A1TDP1CYP4F2CYP4A11
SCHEMBL134602 0.81 SLC7A5 (0.60) SLC7A5ALDH1A1TDP1CYP4F2CYP4A11
SCHEMBL3093203 0.81 MAPT (0.46) ALDH1A1TDP1LMNAADRB2ADRB1
SCHEMBL25264639 0.80 ALDH1A1 (0.53) SLC7A5ALDH1A1TDP1ADRB2ADRB1
SCHEMBL6537065 0.79 SLC7A5 (0.59) SLC7A5ALDH1A1TDP1CYP4F2CYP4A11

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