SCHEMBL3098917

SCHEMBL3098917

CCCC(O)C(O)(CC)OC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PLA2G4B P0C869 3/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RARB P10826 2/20 0.35

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
SCHEMBL3098898 0.94 CYP1A2 (0.37) MAPTALDH1A1CYP1A2MAPK1TSHR
SCHEMBL3080384 0.87 KMT2A (0.42) MAPTALDH1A1CYP1A2KMT2APLA2G4B
SCHEMBL3085264 0.84 MAPT (0.43) MAPTALDH1A1CYP1A2KMT2APLA2G4B
SCHEMBL3093196 0.84 MAPT (0.49) MAPTALDH1A1CYP1A2KMT2AMEN1
SCHEMBL3080378 0.83 SLC7A5 (0.39) ALDH1A1CYP1A2TSHRCYP2D6CYP2C19
SCHEMBL3093183 0.77 CYP1A2 (0.43) MAPTALDH1A1CYP1A2TSHRCYP2D6
SCHEMBL1648606 0.75 MAPT (0.49) MAPTALDH1A1CYP1A2KMT2AMEN1
SCHEMBL11094543 0.75 MAPT (0.49) MAPTALDH1A1CYP1A2KMT2AMEN1
SCHEMBL2788009 0.75 ALDH1A1 (0.52) MAPTALDH1A1CYP1A2KMT2AMEN1
SCHEMBL27508833 0.73 ALDH1A1 (0.50) MAPTALDH1A1CYP1A2KMT2AMEN1

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