SCHEMBL11277430

SCHEMBL11277430

O=C(O)CCCOC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
TSHR P16473 4/20 0.50
LMNA P02545 3/20 0.50
ESR1 P03372 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
MAPK1 P28482 1/20 0.50
NR1H2 P55055 1/20 0.50
RNASEL Q05823 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
PDE4D Q08499 1/20 0.49
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL3206564 0.94 TDP1 (0.64) TDP1TSHRLMNAESR1CYP1A2
SCHEMBL9016065 0.93 TDP1 (0.59) TDP1TSHRLMNAESR1CYP1A2
SCHEMBL11264826 0.89 TDP1 (0.52) TDP1TSHRLMNAESR1CYP1A2
Adipic Acid SCHEMBL28706663 0.89 TSHR (0.64) TSHRLMNAESR1CYP1A2CYP2C19
SCHEMBL5852269 0.89 TDP1 (0.54) TDP1TSHRLMNAESR1CYP1A2
SCHEMBL12799479 0.88 TDP1 (0.73) TDP1TSHRLMNAESR1CYP1A2
SCHEMBL36483 0.88 TDP1 (0.67) TDP1TSHRLMNAESR1CYP1A2
SCHEMBL36009 0.88 TDP1 (0.73) TDP1TSHRLMNAESR1CYP1A2
SCHEMBL9636486 0.87 ESR1 (0.67) TDP1TSHRLMNAESR1CYP1A2
SCHEMBL1553164 0.87 TDP1 (0.53) TDP1TSHRLMNAESR1CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0052927-A2 Stretched film structure of the poly-1,3-phenylene terephthalate type MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1982-06-02 EP disclosed