SCHEMBL3080378

SCHEMBL3080378

CCCC(O)C(O)(CC)OC(=O)c1cccc(C(=O)OC(O)(CC)C(O)CCC)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.39
TAS1R3 Q7RTX0 4/20 0.37
TAS1R1 Q7RTX1 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCD Q05655 1/20 0.34

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
SCHEMBL3080384 0.95 KMT2A (0.42) SLC7A5TAS1R3TAS1R1CYP1A2CYP2D6
SCHEMBL3098898 0.88 CYP1A2 (0.37) TAS1R3TAS1R1CYP1A2CYP2D6CYP2C19
SCHEMBL3096149 0.84 CYP1A2 (0.42) SLC7A5CYP1A2CYP2D6CYP2C19ADRB2
SCHEMBL3098917 0.83 MAPT (0.42) CYP1A2CYP2D6CYP2C19ALDH1A1TSHR
SCHEMBL3087845 0.80 KMT2A (0.43) SLC7A5TAS1R3TAS1R1CYP1A2CYP2D6
SCHEMBL3096170 0.79 CYP1A2 (0.42) SLC7A5CYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL14034755 0.77 SLC7A5 (0.37) SLC7A5TAS1R3TAS1R1CYP1A2CYP2D6
SCHEMBL7946046 0.75 CYP1A2 (0.44) SLC7A5CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL5368592 0.73 CYP1A2 (0.45) SLC7A5CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL20210670 0.73 CYP2D6 (0.54) CYP1A2CYP2D6CYP2C19ALDH1A1LMNA

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