SCHEMBL10398142

SCHEMBL10398142

C=C(C)C(=O)OCCOc1ccc2ccccc2c1-c1c(OCCOC(=O)C(=C)C)ccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
PTGS2 P35354 3/20 0.42
CNR1 P21554 4/20 0.40
CNR2 P34972 4/20 0.40
ALOX5 P09917 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.39
MMP3 P08254 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 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
SCHEMBL12446624 0.90 KDM4E (0.46) KDM4EALDH1A1HPGDPTGS2
SCHEMBL12458553 0.88 KDM4E (0.42) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL15302509 0.86 POLB (0.44) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL29791099 0.86 KDM4E (0.58) KDM4EALDH1A1HPGDTDP1
SCHEMBL2033775 0.86 KDM4E (0.58) KDM4EALDH1A1HPGDTDP1
SCHEMBL12458558 0.84 POLB (0.47) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL12416580 0.82 NR2E1 (0.45) KDM4EALDH1A1HPGDTDP1APEX1
SCHEMBL12458557 0.82 TDP1 (0.43) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL9880797 0.82 MTNR1A (0.47) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL17148019 0.81 MAPT (0.47) MAPTKDM4EALDH1A1HPGDTDP1

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-4906713-A \"Acrylic\" ladder polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-06 US claimed
US-20110171609-A1 Dental Composition Comprising Biphenyl Di(meth)acrylate Monomer 3M INNOVATIVE PROPERTIES COMPANY 2011-07-14 US disclosed
US-20110171609-A1 Dental Composition Comprising Biphenyl Di(meth)acrylate Monomer 3M INNOVATIVE PROPERTIES COMPANY 2011-07-14 US disclosed
WO-2010027676-A2 DENTAL COMPOSITION COMPRISING BIPHENYL DI(METH)ACRYLATE MONOMER 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-03-11 WO disclosed
US-4906713-A \"Acrylic\" ladder polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-06 US disclosed