SCHEMBL7546847

SCHEMBL7546847

CCOC(=O)C(C(=O)OCC)=C(CC)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.46
ALDH1A1 P00352 5/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
GLO1 Q04760 1/20 0.41
GAA P10253 3/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
MAPT P10636 2/20 0.38
TRPA1 O75762 1/20 0.37
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL9083959 0.86 GAA (0.42) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL20265954 0.82 SOAT1 (0.35) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL3672314 0.81 ALDH1A1 (0.56) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL9827441 0.80 SOAT1 (0.46) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL10444832 0.78 SOAT1 (0.44) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL11377438 0.77 SOAT1 (0.48) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL15913666 0.75 ALDH1A1 (0.48) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL7262 0.74 ALDH1A1 (0.62) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL12311292 0.74 SOAT1 (0.47) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL1331989 0.74 ALDH1A1 (0.62) SOAT1ALDH1A1LMNAHSD17B10NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0896043-B1 Adhesive TOKUYAMA CORP (JP) 2002-10-23 EP disclosed
EP-0802194-B1 Novel thiouracil derivatives and metal surface-treating agent comprising thereof TOKUYAMA CORP (JP) 2002-06-19 EP disclosed
US-6133338-A TYPIFIED BY 6-METHACRYLOYLOXYHEXYL 2-THIOURACIL-5-CARBOXYLATE, A RADICAL-POLYMERIZABLE MONOMER, AND A POLYMERIZATION INITIATOR; DENTAL ADHESIVE; GOOD ADHESIVENESS TO NOBLE METALS AND ALLOYS THEREOF TOKUYAMA CORPORATION (JP) 2000-10-17 US disclosed
EP-0896043-A1 Adhesive TOKUYAMA CORPORATION (JP) 1999-02-10 EP disclosed
US-5795497-A Thiouracil derivatives and metal surface-treating agent comprising thereof TOKUYAMA CORPORATION (JP) 1998-08-18 US disclosed
EP-0802194-A2 Novel thiouracil derivatives and metal surface-treating agent comprising thereof TOKUYAMA CORPORATION (JP) 1997-10-22 EP disclosed