SCHEMBL3096149

SCHEMBL3096149

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC7A5 Q01650 1/20 0.41
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADRB2 P07550 7/20 0.37
ADRB1 P08588 7/20 0.37
ADRB3 P13945 7/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36

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
SCHEMBL3096170 0.94 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C19SLC7A5KMT2A
SCHEMBL20210670 0.89 CYP2D6 (0.54) CYP1A2CYP2D6CYP2C19KMT2AHSD17B10
SCHEMBL3093183 0.87 CYP1A2 (0.43) CYP1A2CYP2D6CYP2C19ADRB2ADRB1
SCHEMBL3080378 0.84 SLC7A5 (0.39) CYP1A2CYP2D6CYP2C19SLC7A5ADRB2
SCHEMBL3093196 0.81 MAPT (0.49) CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL2064890 0.80 CYP1A2 (0.50) CYP1A2CYP2D6CYP2C19GAAADRB2
SCHEMBL3080384 0.79 KMT2A (0.42) CYP1A2CYP2D6CYP2C19SLC7A5KMT2A
SCHEMBL7946046 0.78 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C19SLC7A5KMT2A
SCHEMBL5373190 0.78 CYP1A2 (0.59) CYP1A2CYP2D6CYP2C19SLC7A5GAA
SCHEMBL5368592 0.76 CYP1A2 (0.45) CYP1A2CYP2D6CYP2C19SLC7A5LOXL2

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