SCHEMBL7927487

SCHEMBL7927487

C=CCOc1ccccc1OCCOC(=O)C(=C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.47
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 4/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
SLC22A1 O15245 1/20 0.42
CYP1A2 P05177 1/20 0.42
HTR1A P08908 1/20 0.42
CYP2D6 P10635 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
THRB P10828 2/20 0.41
ADRB3 P13945 1/20 0.41
JAK2 O60674 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL10580556 0.89 THRB (0.50) TSHRLMNATHRBJAK2GAA
SCHEMBL7918625 0.88 LIG1 (0.44) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL17033943 0.85 ALDH1A1 (0.57) LMNAADRB2ADRB1THRBJAK2
SCHEMBL7924944 0.85 LIG1 (0.51) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL4580084 0.84 GAA (0.58) HPGDTSHRLMNATHRBJAK2
SCHEMBL8363546 0.84 NPSR1 (0.57) TSHRHSD17B10LMNACYP1A2THRB
SCHEMBL11068272 0.83 KDM4E (0.52) TSHRLMNAADRB2ADRB1CYP1A2
SCHEMBL1938350 0.82 THRB (0.46) TSHRLMNATHRBKDM4ESMN1; SMN2
SCHEMBL7918633 0.82 LIG1 (0.46) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL17036757 0.81 ALDH1A1 (0.53) TSHRLMNATHRBMAPTKDM4E

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
US-6231714-B1 BONDING PAIR OF SUBSTRATES LOCTITE CORPORATION 2001-05-15 US claimed
WO-2000032550-A1 ALLYLIC PHENYL ETHER (METH)ACRYLATE COMPOSITIONS AND NOVEL ALLYLIC PHENYL ETHER (METH)ACRYLATE MONOMERS LOCTITE CORPORATION (US) 2000-06-08 WO claimed
US-6231714-B1 BONDING PAIR OF SUBSTRATES LOCTITE CORPORATION 2001-05-15 US disclosed
WO-2000032550-A1 ALLYLIC PHENYL ETHER (METH)ACRYLATE COMPOSITIONS AND NOVEL ALLYLIC PHENYL ETHER (METH)ACRYLATE MONOMERS LOCTITE CORPORATION (US) 2000-06-08 WO disclosed