SCHEMBL6568101

SCHEMBL6568101

C=C(C(=O)OCCN)C(C)C.C=C(C)C(=O)OC.C=C(C)C(=O)OCCCC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
ALDH1A1 P00352 3/20 0.40
THRB P10828 2/20 0.39
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 2/20 0.33
ATM Q13315 1/20 0.32
MAPT P10636 3/20 0.32
RAB9A P51151 2/20 0.32
CNR1 P21554 1/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.30
XDH P47989 1/20 0.30

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
SCHEMBL19639945 0.90 TSHR (0.62) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL3210119 0.90 ALDH1A1 (0.48) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL7527694 0.89 TSHR (0.67) TSHRALDH1A1THRBPOLBAPEX1
Methacrylic Acid SCHEMBL7055633 0.86 TSHR (0.61) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL28927915 0.84 TSHR (0.70) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL28280640 0.83 TSHR (0.71) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL10757690 0.83 THRB (0.49) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL1877021 0.83 TSHR (0.72) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL724296 0.83 TSHR (0.72) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL10448434 0.82 TSHR (0.56) TSHRALDH1A1THRBPOLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016120892-A1 ABUSE DETERRENT CONTROLLED RELEASE SOLID DOSAGE FORM SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2016-08-04 WO claimed
US-20040137061-A1 Functional grain-containing preparations quickly disintegrated in the oral cavity TANABE SEIYAKU CO., LTD. (JP) 2004-07-15 US disclosed
EP-1405635-A1 FUNCTIONAL GRAIN-CONTAINING PREPARATIONS QUICKLY DISINTEGRATED IN THE ORAL CAVITY TANABE SEIYAKU CO., LTD. (JP) 2004-04-07 EP disclosed