SCHEMBL7918633

SCHEMBL7918633

C=CCOc1ccccc1COC(=O)C(=C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 1/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP3A4 P08684 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
GPX4 P36969 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL7918625 0.86 LIG1 (0.44) LIG1ALDH1A1KDM4EHPGDTSHR
SCHEMBL10888045 0.84 L3MBTL1 (0.49) ALDH1A1KDM4ETSHRHSD17B10MAPT
SCHEMBL18824237 0.84 LIG1 (0.51) LIG1ALDH1A1KDM4EHPGDTSHR
SCHEMBL17036771 0.83 L3MBTL1 (0.44) ALDH1A1KDM4ETSHRMAPTL3MBTL1
SCHEMBL7927487 0.82 LIG1 (0.47) LIG1ALDH1A1KDM4EHPGDTSHR
SCHEMBL17036975 0.82 POLB (0.47) ALDH1A1KDM4EHPGDTSHRMAPT
SCHEMBL959785 0.81 IDO1 (0.50) ALDH1A1HPGDADRB2ADRB1ADRB3
SCHEMBL7924944 0.81 LIG1 (0.51) LIG1ALDH1A1KDM4EHPGDTSHR
SCHEMBL4202389 0.80 TSHR (0.44) ALDH1A1KDM4ETSHRMAPTKMT2A
SCHEMBL29577269 0.80 TSHR (0.44) ALDH1A1KDM4ETSHRMAPTKMT2A

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