SCHEMBL3676879

SCHEMBL3676879

C=C(C)C(=O)OC(C)(C)C.C=C(C)C(=O)OCC(CC)CCCC.C=C(C)C(=O)OCCCCCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.57
CYP3A4 P08684 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CA2 P00918 1/20 0.40
RECQL P46063 1/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
THRB P10828 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MMP9 P14780 1/20 0.34

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
SCHEMBL3364996 0.93 TSHR (0.51) TSHRCYP3A4TDP1ATMPRSS1
SCHEMBL890675 0.91 TSHR (0.69) TSHRCYP3A4TDP1ATMPRSS1
SCHEMBL8962376 0.91 TSHR (0.69) TSHRCYP3A4TDP1ATMPRSS1
SCHEMBL10585558 0.91 TSHR (0.69) TSHRCYP3A4TDP1ATMPRSS1
SCHEMBL9115198 0.91 TSHR (0.69) TSHRCYP3A4TDP1ATMPRSS1
SCHEMBL1275661 0.91 TSHR (0.69) TSHRCYP3A4TDP1ATMPRSS1
SCHEMBL6675432 0.86 TSHR (0.58) TSHRCYP3A4TDP1ATMPRSS1
SCHEMBL19326628 0.86 TSHR (0.77) TSHRTDP1ALDH1A1LMNAPOLB
SCHEMBL2551766 0.86 TSHR (0.77) TSHRTDP1ALDH1A1LMNAPOLB
Methacrylic Acid SCHEMBL28076139 0.84 TSHR (0.47) TSHRCYP3A4TDP1ATMPRSS1

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
EP-1400557-B1 Redispersible synthetic resin powder KURARAY CO (JP) 2010-12-15 EP disclosed
EP-1400557-A1 Redispersible synthetic resin powder Kuraray Co., Ltd. (JP) 2004-03-24 EP disclosed