SCHEMBL12865768

SCHEMBL12865768

CCC(=O)OCCOC(=O)c1ccc(C(=O)OCCOC(=O)CC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
ALDH1A1 P00352 4/20 0.58
ESR1 P03372 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
CHRM1 P11229 1/20 0.58
SLC6A2 P23975 1/20 0.58
KDR P35968 1/20 0.58
LMNA P02545 4/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 2/20 0.55
MAPK1 P28482 1/20 0.55
NR1H2 P55055 1/20 0.55
RNASEL Q05823 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 1/20 0.53
PDE4D Q08499 1/20 0.53
HTT P42858 1/20 0.53
CA12 O43570 1/20 0.52

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
SCHEMBL11941325 0.93 MAPT (0.58) TSHRALDH1A1ESR1TDP1CHRM1
SCHEMBL28753801 0.92 CA1 (0.63) TSHRALDH1A1ESR1TDP1CHRM1
SCHEMBL9667206 0.90 LMNA (0.70) TSHRALDH1A1ESR1TDP1CHRM1
SCHEMBL28745469 0.86 LMNA (0.64) TSHRALDH1A1ESR1TDP1CHRM1
SCHEMBL29326151 0.82 HTT (0.52) TSHRALDH1A1ESR1TDP1CHRM1
SCHEMBL28753830 0.82 CA1 (0.66) TSHRALDH1A1ESR1TDP1LMNA
SCHEMBL12908145 0.81 MAPT (0.77) TSHRALDH1A1TDP1SMN1; SMN2HTT
SCHEMBL18133193 0.81 ESR1 (0.65) TSHRALDH1A1ESR1TDP1CHRM1
SCHEMBL49950 0.80 ALDH1A1 (0.84) TSHRALDH1A1ESR1TDP1CHRM1
SCHEMBL24234908 0.79 ESR1 (0.48) TSHRALDH1A1ESR1TDP1CHRM1

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-7892713-B2 Photoconductors containing terephthalate esters EASTMAN KODAK COMPANY (US) 2011-02-22 US disclosed
US-7892713-B2 Photoconductors containing terephthalate esters EASTMAN KODAK COMPANY (US) 2011-02-22 US disclosed
US-20090087764-A1 PHOTOCONDUCTORS CONTAINING TEREPHTHALATE ESTERS BANK OF AMERICA, N.A., AS AGENT 2009-04-02 US disclosed
US-20090087764-A1 PHOTOCONDUCTORS CONTAINING TEREPHTHALATE ESTERS BANK OF AMERICA, N.A., AS AGENT 2009-04-02 US disclosed