SCHEMBL534443

SCHEMBL534443

C=CC(=O)OCCCCN1C(C)(C)CCCC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.51
ALDH1A1 P00352 4/20 0.51
CYP3A4 P08684 2/20 0.51
HPGD P15428 1/20 0.47
TP53 P04637 3/20 0.40
HIF1A Q16665 3/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 2/20 0.35
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32
HCAR2 Q8TDS4 2/20 0.31
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL69841 0.89 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1702771 0.80 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL11810920 0.76 ATM (0.40) TSHRNFKB1CYP2C19ATMHCAR2
SCHEMBL10170322 0.73 TSHR (0.35) TSHRNFKB1CYP2C19
SCHEMBL244114 0.73 TSHR (0.95) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11737653 0.73 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11808145 0.73 GSTP1 (0.35) TSHRNFKB1CYP2C19ATMHCAR2
SCHEMBL1433669 0.73 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11355209 0.72 TSHR (0.44) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11313067 0.72 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53

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-2416375-B1 RESIN COMPOSITION FOR SOLAR CELL SEALING MATERIAL, SOLAR CELL SEALING MATERIAL, AND SOLAR CELL MODULE USING THE MATERIAL JAPAN POLYETHYLENE CORP (JP) 2014-09-10 EP disclosed
EP-2416375-A1 RESIN COMPOSITION FOR SOLAR CELL SEALING MATERIAL, SOLAR CELL SEALING MATERIAL, AND SOLAR CELL MODULE USING THE MATERIAL Japan Polyethylene Corporation (JP) 2012-02-08 EP disclosed