SCHEMBL3098911

SCHEMBL3098911

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 2/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 3/20 0.42
LMNA P02545 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
ESR1 P03372 2/20 0.42
CYP2D6 P10635 1/20 0.42
NR1H2 P55055 1/20 0.42
RNASEL Q05823 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP4A11 Q02928 2/20 0.41
CYP4F2 P78329 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PDE4D Q08499 1/20 0.41
CHRM1 P11229 1/20 0.41

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
SCHEMBL3098923 0.94 TDP1 (0.44) TDP1MAPK1PKMHSD17B10TSHR
SCHEMBL3093193 0.88 MAPK1 (0.46) TDP1MAPK1PKMHSD17B10TSHR
SCHEMBL3080382 0.88 CYP4F2 (0.46) TDP1TSHRLMNAALDH1A1CYP4A11
SCHEMBL3085262 0.85 ALDH1A1 (0.51) ALDH1A1CYP4A11CYP4F2ADRB2ADRB1
SCHEMBL26112323 0.85 TDP1 (0.50) TDP1MAPK1PKMHSD17B10TSHR
SCHEMBL23926207 0.83 LMNA (0.58) TDP1MAPK1PKMHSD17B10TSHR
SCHEMBL3080385 0.83 TDP1 (0.46) TDP1LMNAALDH1A1CYP4A11CYP4F2
SCHEMBL3093203 0.82 MAPT (0.46) TDP1MAPK1PKMHSD17B10TSHR
SCHEMBL5155769 0.80 TDP1 (0.68) TDP1MAPK1TSHRLMNACYP1A2
SCHEMBL128506 0.80 TDP1 (0.67) TDP1MAPK1TSHRLMNACYP1A2

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