SCHEMBL3093196

SCHEMBL3093196

CCC(O)(OC(=O)c1ccc(C(=O)O)cc1)C(C)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PLA2G4B P0C869 3/20 0.40
MAPK1 P28482 1/20 0.40
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
GRIA4 P48058 1/20 0.37
HTT P42858 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
SCHEMBL3093183 0.94 CYP1A2 (0.43) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL20210670 0.89 CYP2D6 (0.54) ALDH1A1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL2064890 0.86 CYP1A2 (0.50) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL3096170 0.85 CYP1A2 (0.42) MAPTCYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL3098917 0.84 MAPT (0.42) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL3096149 0.81 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL11094543 0.79 MAPT (0.49) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL673214 0.79 MAPT (0.45) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL2788009 0.78 ALDH1A1 (0.52) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL27508833 0.77 ALDH1A1 (0.50) MAPTALDH1A1CYP1A2CYP2D6CYP2C19

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