SCHEMBL7769754

SCHEMBL7769754

C=CC(=O)OCCC(=C)C(=O)Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.59
TSHR P16473 5/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP3A4 P08684 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ELANE P08246 1/20 0.37
HPGD P15428 1/20 0.37
HCAR2 Q8TDS4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE6D O43924 1/20 0.34
TGM2 P21980 1/20 0.34
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 1/20 0.33
TEAD1 P28347 1/20 0.33
TEAD3 Q99594 1/20 0.33

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
SCHEMBL8654272 0.84 THRB (0.65) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL18027478 0.83 THRB (0.64) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL28272336 0.82 THRB (0.52) THRBTSHRALDH1A1TP53HIF1A
Acrylic Acid SCHEMBL28077937 0.82 THRB (0.51) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL15940425 0.80 CYP1A2 (0.50) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL8961917 0.78 THRB (0.71) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL11665984 0.78 ELANE (0.41) THRBTSHRALDH1A1CYP3A4HSD17B10
SCHEMBL7194597 0.78 THRB (0.66) THRBTSHRALDH1A1TP53HIF1A
Acrylic Acid SCHEMBL28102014 0.78 THRB (0.42) THRBALDH1A1ELANEHPGDKDM4E
SCHEMBL11243154 0.77 ELANE (0.45) ALDH1A1HSD17B10ELANEHPGDKDM4E

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
EP-0836121-B1 Toner for developing electrostatic image, and image forming method CANON KK (JP) 2001-06-06 EP disclosed
US-5955234-A COMPRISED OF BINDER RESIN, COLORANT AND WAX CANON KABUSHIKI KAISHA (JP) 1999-09-21 US disclosed
EP-0836121-A1 Toner for developing electrostatic image, and image forming method CANON KABUSHIKI KAISHA (JP) 1998-04-15 EP disclosed