SCHEMBL5510132

SCHEMBL5510132

C=CC(=O)OCC(C)C.C=CC(=O)OCC(CC)CCCC.C=CC(=O)OCCCCCCCC

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.74
HPGD P15428 1/20 0.53
CYP3A4 P08684 5/20 0.49
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 2/20 0.47
HCAR2 Q8TDS4 2/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
CA2 P00918 1/20 0.42
RECQL P46063 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7627062 0.95 TSHR (0.83) TSHRHPGDCYP3A4ALDH1A1TDP1
SCHEMBL6600454 0.95 TSHR (0.83) TSHRHPGDCYP3A4ALDH1A1TDP1
SCHEMBL3401565 0.95 TSHR (0.83) TSHRHPGDCYP3A4ALDH1A1TDP1
SCHEMBL7958163 0.95 TSHR (0.83) TSHRHPGDCYP3A4ALDH1A1TDP1
SCHEMBL8640150 0.95 TSHR (0.83) TSHRHPGDCYP3A4ALDH1A1TDP1
SCHEMBL5993716 0.95 TSHR (0.83) TSHRHPGDCYP3A4ALDH1A1TDP1
SCHEMBL17139830 0.93 TSHR (0.81) TSHRHPGDCYP3A4ALDH1A1TDP1
SCHEMBL8213029 0.93 TSHR (0.85) TSHRHPGDCYP3A4ALDH1A1TDP1
SCHEMBL10795771 0.92 TSHR (0.74) TSHRHPGDCYP3A4ALDH1A1TDP1
SCHEMBL7578944 0.92 TSHR (0.78) TSHRHPGDCYP3A4ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250472-B1 Can be processed into thermoformable acrylic sheet material with variegated non-homogeneous granite appearance and, bathware, comprising a matrix of polymethyl methacrylate having dispersed within it particles of a thermoplastic LUCITE INTERNATIONAL, INC. (US) 2007-07-31 US claimed
EP-1153081-B1 ACRYLIC COMPOSITIONS LUCITE INT INC (US) 2006-03-29 EP claimed
EP-1153081-A4 ACRYLIC COMPOSITIONS INEOS ACRYLICS INC (US) 2002-11-20 EP claimed
EP-1153081-A1 ACRYLIC COMPOSITIONS ICI Acrylics, Inc. (US) 2001-11-14 EP claimed
WO-2000024825-A1 ACRYLIC COMPOSITIONS ICI ACRYLICS, INC. (US) 2000-05-04 WO claimed