SCHEMBL934860

SCHEMBL934860

COC(C=O)(OC)c1ccc(OCCN)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
TAAR1 Q96RJ0 1/20 0.44
LTA4H P09960 2/20 0.43
PLA2G2A P14555 1/20 0.43
CYP19A1 P11511 9/20 0.40
ESR1 P03372 8/20 0.40
ESR2 Q92731 8/20 0.40
CYP3A4 P08684 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2A6 P11509 2/20 0.40
CYP3A5 P20815 2/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL20477649 0.77 CA12 (0.46) SMN1; SMN2CYP2D6ALDH1A1
SCHEMBL8923155 0.76 ALDH1A1 (0.50) CYP3A4CYP1A2CYP2A6ALDH1A1
SCHEMBL4902926 0.74 SMN1; SMN2 (0.66) SMN1; SMN2TAAR1LTA4HPLA2G2ACYP3A4
SCHEMBL10883892 0.74 SMN1; SMN2 (0.83) SMN1; SMN2TAAR1LTA4HPLA2G2ACYP19A1
Formic Acid SCHEMBL6318509 0.74 MAPT (0.50) SMN1; SMN2TAAR1LTA4HPLA2G2ACYP19A1
SCHEMBL6714503 0.73 TAAR1 (0.75) SMN1; SMN2TAAR1LTA4HPLA2G2ACYP19A1
SCHEMBL321542 0.72 TAAR1 (0.60) SMN1; SMN2TAAR1LTA4HPLA2G2A
SCHEMBL4837591 0.71 SMN1; SMN2 (0.53) SMN1; SMN2TAAR1LTA4HPLA2G2AALDH1A1
SCHEMBL6657819 0.71 ALDH1A1 (0.58) SMN1; SMN2TAAR1LTA4HPLA2G2ACYP19A1
SCHEMBL1290562 0.71 MAOB (0.57) SMN1; SMN2TAAR1LTA4HPLA2G2AALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3713535-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION COMPRISING POLYMER OR MACROMOLECULE WITH PHOTOINITIATOR GROUP 3M Innovative Properties Company (US) 2020-09-30 EP disclosed
WO-2019104079-A1 ORTHODONTIC ARTICLES COMPRISING POLYMERIZED COMPOSITION COMPRISING AT LEAST TWO FREE-RADICAL INITIATORS 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-05-31 WO disclosed
WO-2019104072-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION COMPRISING POLYMER OR MACROMOLECULE WITH PHOTOINITIATOR GROUP 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-05-31 WO disclosed
WO-2018152076-A1 PHYSICALLY CROSSLINKABLE (METH)ACRYLATE COPOLYMER COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-08-23 WO disclosed
EP-3137523-A1 PHYSICALLY CROSSLINKABLE ADHESIVE COPOLYMER 3M Innovative Properties Company (US) 2017-03-08 EP disclosed
WO-2015167819-A1 PHYSICALLY CROSSLINKABLE ADHESIVE COPOLYMER 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-11-05 WO disclosed
EP-2901158-A1 LIGAND GRAFTED SUBSTRATES 3M Innovative Properties Company (US) 2015-08-05 EP disclosed
EP-2313183-A1 LIGAND FUNCTIONALIZED SUBSTRATES 3M Innovative Properties Company (US) 2011-04-27 EP disclosed
EP-2294118-A1 METHOD OF MAKING LIGAND FUNCTIONALIZED SUBSTRATES 3M Innovative Properties Company (US) 2011-03-16 EP disclosed
WO-2009146321-A9 LIGAND FUNCTIONALIZED SUBSTRATES 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-01-13 WO disclosed
WO-2009148869-A1 METHOD OF MAKING LIGAND FUNCTIONALIZED SUBSTRATES 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-12-10 WO disclosed
WO-2009146321-A1 LIGAND FUNCTIONALIZED SUBSTRATES 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-12-03 WO disclosed
EP-1744791-A1 CROSSLINKABLE HYDROPHILIC MATERIALS FROM REACTIVE OLIGOMERS HAVING PENDENT UNSATURATED GROUPS 3M Innovative Properties Company (US) 2007-01-24 EP disclosed
EP-1668052-A1 REACTIVE HYDROPHILIC OLIGOMERS 3M Innovative Properties Company (US) 2006-06-14 EP disclosed
WO-2005092402-A1 CROSSLINKABLE HYDROPHILIC MATERIALS FROM REACTIVE OLIGOMERS HAVING PENDENT UNSATURATED GROUPS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-10-06 WO disclosed
WO-2005035607-A1 REACTIVE HYDROPHILIC OLIGOMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-21 WO disclosed
US-5902836-A MIXTURE COMPRISING 95 TO 100 PARTS BY WEIGHT OF A FREE RADICALLY-POLYMERIZABLE ETHYLENICALLY UNSATURATED MONOMER, UP TO 5 PARTS BY WEIGHT OF AN ETHYLENICALLY UNSATURATED MONOMER HAVING A RADIATION SENSITIVE CLEAVING GROUP, INITIATOR MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-05-11 US disclosed
EP-0772655-A1 ACRYLIC SYRUP CURABLE TO A CROSSLINKED VISCOELASTOMERIC MATERIAL MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-05-14 EP disclosed
WO-1996004346-A1 ACRYLIC SYRUP CURABLE TO A CROSSLINKED VISCOELASTOMERIC MATERIAL MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-15 WO disclosed