SCHEMBL3093203

SCHEMBL3093203

O=C(O)c1ccc(C(=O)OCCC(O)CCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 3/20 0.42
PKM P14618 2/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 4/20 0.40
ESR1 P03372 3/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
KDR P35968 1/20 0.40
ESR2 Q92731 1/20 0.40
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
NR1H2 P55055 1/20 0.38

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
SCHEMBL3093193 0.93 MAPK1 (0.46) MAPTALDH1A1TDP1MAPK1PKM
SCHEMBL26112324 0.91 TDP1 (0.49) MAPTALDH1A1TDP1MAPK1LMNA
SCHEMBL3098923 0.89 TDP1 (0.44) MAPTALDH1A1TDP1MAPK1PKM
SCHEMBL1648610 0.85 MAPT (0.55) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL3096179 0.85 SLC7A5 (0.47) ALDH1A1TDP1LMNATSHRADRB2
SCHEMBL26112323 0.83 TDP1 (0.50) MAPTALDH1A1TDP1MAPK1PKM
SCHEMBL2788019 0.83 MAPT (0.51) MAPTALDH1A1TDP1MAPK1PKM
SCHEMBL3098911 0.82 TDP1 (0.44) MAPTALDH1A1TDP1MAPK1PKM
SCHEMBL37039 0.81 TDP1 (0.53) MAPTALDH1A1TDP1MAPK1PKM
SCHEMBL30950765 0.81 TDP1 (0.53) MAPTALDH1A1TDP1MAPK1PKM

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