SCHEMBL6914564

SCHEMBL6914564

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.60
HCAR2 Q8TDS4 4/20 0.43
HPGD P15428 1/20 0.42
CYP3A4 P08684 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 2/20 0.40
ALDH1A1 P00352 5/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
CA2 P00918 1/20 0.37
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32

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
SCHEMBL6915106 0.98 TSHR (0.57) TSHRHCAR2HPGDCYP3A4TDP1
SCHEMBL7207107 0.93 TSHR (0.62) TSHRHCAR2HPGDCYP3A4TDP1
SCHEMBL19712876 0.93 TSHR (0.59) TSHRHCAR2HPGDCYP3A4TDP1
Styrene SCHEMBL12609460 0.91 TSHR (0.49) TSHRHCAR2HPGDCYP3A4TDP1
SCHEMBL6133308 0.90 TSHR (0.64) TSHRHCAR2HPGDCYP3A4TDP1
Acrylic Acid Ethyl Ester SCHEMBL8181478 0.90 TSHR (0.64) TSHRHCAR2HPGDCYP3A4TDP1
SCHEMBL3414119 0.89 TSHR (0.66) TSHRHCAR2HPGDCYP3A4TDP1
Acrylic Acid SCHEMBL12231054 0.89 TSHR (0.59) TSHRHCAR2CYP3A4TDP1ATM
SCHEMBL11359985 0.88 TSHR (0.64) TSHRHCAR2HPGDCYP3A4TDP1
SCHEMBL1547531 0.88 TSHR (0.67) TSHRHCAR2HPGDCYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6783850-B2 (METH)ACRYLIC ESTER COPOLYMER WITH TACKIFIER RESIN; SOLVENT-FREE SOKEN CHEMICAL & ENGINEERING CO., LTD. (JP) 2004-08-31 US disclosed
US-20030008140-A1 Acrylic polymer compositions, acrylic pressure-sensitive adhesion tapes and process for producing the same SOKEN CHEMICAL & ENGINEERING CO., LTD. (JP) 2003-01-09 US disclosed