SCHEMBL7924944

SCHEMBL7924944

C=CCOc1ccccc1OC(=O)C(=C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.51
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
SLC22A1 O15245 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
HTR1A P08908 1/20 0.46
CYP2D6 P10635 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
KDM4E B2RXH2 1/20 0.43
ELANE P08246 1/20 0.43
ADRB3 P13945 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL9749313 0.87 LIG1 (0.54) LIG1TSHRHPGDMAPK1HSD17B10
SCHEMBL7927487 0.85 LIG1 (0.47) LIG1TSHRHPGDMAPK1HSD17B10
SCHEMBL10451271 0.84 LIG1 (0.46) LIG1TSHRHPGDMAPK1HSD17B10
SCHEMBL29168887 0.83 LIG1 (0.57) LIG1TSHRHPGDMAPK1HSD17B10
SCHEMBL7868897 0.82 LIG1 (0.51) LIG1TSHRHPGDHSD17B10ADRB2
SCHEMBL1232932 0.82 ELANE (0.56) TSHRHPGDMAPK1HSD17B10LMNA
SCHEMBL30803748 0.82 ELANE (0.56) TSHRHPGDMAPK1HSD17B10LMNA
SCHEMBL30803750 0.82 ELANE (0.56) TSHRHPGDMAPK1HSD17B10LMNA
SCHEMBL8011903 0.82 ADRB2 (0.45) LIG1TSHRHPGDMAPK1HSD17B10
SCHEMBL30602529 0.81 L3MBTL1 (0.56) LMNACYP1A2CYP2D6KDM4EELANE

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 5 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
CN-107001862-A Slurry polymerisation compositions and by its obtained adhesive 3M创新有限公司 2017-08-01 CN disclosed
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