SCHEMBL3087844

SCHEMBL3087844

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
ADRB2 P07550 15/20 0.48
ADRB1 P08588 15/20 0.48
ADRB3 P13945 15/20 0.48
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
SLC7A5 Q01650 1/20 0.40
PRKCA P17252 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
SCHEMBL3087849 0.94 ALDH1A1 (0.49) ALDH1A1ADRB2ADRB1ADRB3CYP4F2
SCHEMBL19591771 0.89 ALDH1A1 (0.65) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL3085262 0.87 ALDH1A1 (0.51) ALDH1A1ADRB2ADRB1ADRB3CYP4F2
SCHEMBL3080382 0.87 CYP4F2 (0.46) ALDH1A1ADRB2ADRB1ADRB3CYP4F2
SCHEMBL17041416 0.84 ALDH1A1 (0.67) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL25264639 0.84 ALDH1A1 (0.53) ALDH1A1ADRB2ADRB1ADRB3SLC7A5
SCHEMBL8723109 0.82 ADRB2 (0.54) ALDH1A1ADRB2ADRB1ADRB3CYP4F2
SCHEMBL3080385 0.82 TDP1 (0.46) ALDH1A1CYP4F2CYP4A11SLC7A5
SCHEMBL3085268 0.82 MAPT (0.51) ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL16517865 0.81 ALDH1A1 (0.66) ALDH1A1ADRB2ADRB1ADRB3PRKCA

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