SCHEMBL6473509

SCHEMBL6473509

C=C(C)COc1ccc(C(C)(C)c2ccc(OCC(=C)C)c(OCCCC)c2OCCCC)c(OCCCC)c1OCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 5/20 0.38
LMNA P02545 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 2/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2B P41595 4/20 0.33
HTR2C P28335 3/20 0.33
HTR2A P28223 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
ESR1 P03372 1/20 0.32
CYSLTR2 Q9NS75 2/20 0.31

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
SCHEMBL3946616 0.93 KDM4E (0.39) ALDH1A1KDM4ELMNANPSR1TSHR
SCHEMBL2247894 0.87 ALDH1A1 (0.40) ALDH1A1KDM4ELMNANPSR1TSHR
SCHEMBL9486272 0.83 ALDH1A1 (0.39) ALDH1A1KDM4ELMNANPSR1TSHR
SCHEMBL6472686 0.82 ACE2 (0.37) ALDH1A1SMN1; SMN2POLBESR1PPARG
SCHEMBL11139673 0.82 ALDH1A1 (0.34) ALDH1A1KDM4ELMNANPSR1TSHR
SCHEMBL6473511 0.81 TSHR (0.38) TSHRPOLBHTTATMTDP1
Methacrylic Acid SCHEMBL10842460 0.80 ALDH1A1 (0.38) ALDH1A1KDM4ELMNANPSR1TSHR
SCHEMBL9316178 0.79 ALDH1A1 (0.38) ALDH1A1KDM4ELMNANPSR1TSHR
SCHEMBL6473448 0.75 MEN1 (0.32) ALDH1A1KDM4ELMNANPSR1TSHR
SCHEMBL6473821 0.75 THRB (0.46) TSHRHPGDTDP1L3MBTL1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016983-A1 COATING SYSTEM CONTAINING (METH)ACRYLATE SIKA TECHNOLOGY AG (CH) 2005-02-24 WO disclosed
US-4394494-A DIURETHANE TETRAACRYLATES AS POLYMERIZABLE MONOMERS LION CORPORATION (JP) 1983-07-19 US disclosed
US-4388421-A PRIMERS LION CORPORATION (JP) 1983-06-14 US disclosed
US-4383052-A 1-Methacryloxyethane-1,1-diphosphonic acid and its salts and dental adhesive composition containing same LION CORPORATION (JP) 1983-05-10 US disclosed