SCHEMBL7109070

SCHEMBL7109070

CCOC(=O)OC1CCc2cccc(OC)c2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 4/20 0.44
CTDSP1 Q9GZU7 2/20 0.44
MTNR1A P48039 7/20 0.42
MTNR1B P49286 7/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
PIN1 Q13526 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 2/20 0.38
DRD2 P14416 2/20 0.38

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
SCHEMBL7117287 1.00 L3MBTL1 (0.45) L3MBTL1TDP1CTDSP1MTNR1AMTNR1B
SCHEMBL9379902 0.84 MTNR1A (0.45) MTNR1AMTNR1BMAPTCYP1A2CYP2C9
SCHEMBL7314503 0.83 TDP1 (0.56) L3MBTL1TDP1CTDSP1MTNR1AMTNR1B
SCHEMBL9040773 0.83 MTNR1A (0.43) MTNR1AMTNR1BMAPTCYP1A2CYP2C9
SCHEMBL5695475 0.81 CYP4F2 (0.45) L3MBTL1TDP1MAPTCYP2C9ALOX15
SCHEMBL7867727 0.81 CYP4F2 (0.45) L3MBTL1TDP1MAPTCYP2C9ALOX15
SCHEMBL6496701 0.78 CHRM2 (0.47) MTNR1AMTNR1BPIN1DRD2DRD4
SCHEMBL6627932 0.78 CHRM2 (0.47) MTNR1AMTNR1BPIN1DRD2DRD4
SCHEMBL7557806 0.76 LTB4R (0.47) MTNR1AMTNR1BMAPTCYP1A2CYP2C9
SCHEMBL7552940 0.76 LTB4R (0.47) MTNR1AMTNR1BMAPTCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1353670-A2 USE OF CHROMANES Bayer Aktiengesellschaft (DE) 2003-10-22 EP disclosed
WO-2002055078-A2 USE OF CHROMANES FOR TREATING PARKINSON'S DISEASE BAYER AKTIENGESELLSCHAFT (DE) 2002-07-18 WO disclosed
EP-0540914-B1 2-Aminomethylchromans as active ingredients in medicaments for the treatment of diseases of the central nervous system BAYER AG (DE) 1999-06-02 EP disclosed
EP-0539803-B1 Triazospirodecanone-methyl-chromans for the treatment of central nervous system illnesses BAYER AG (DE) 1999-01-07 EP disclosed
EP-0546389-B1 Piperidylmethyl substituted chroman derivatives as agents for the treatment of diseases of the central nervous system BAYER AG (DE) 1996-04-17 EP disclosed
EP-0546388-B1 Azaheterocyclylmethyl-chromans as agents for the treatment of diseases of the central nervous system BAYER AG (DE) 1996-03-27 EP disclosed
EP-0352613-B1 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1994-04-20 EP disclosed
EP-0546389-A1 Piperidylmethyl substituted chroman derivatives as agents for the treatment of diseases of the central nervous system BAYER AG (DE) 1993-06-16 EP disclosed
EP-0546388-A1 Azaheterocyclylmethyl-chromans as agents for the treatment of diseases of the central nervous system BAYER AG (DE) 1993-06-16 EP disclosed
EP-0540914-A1 2-Aminomethylchromans as active ingredients in medicaments for the treatment of diseases of the central nervous system BAYER AG (DE) 1993-05-12 EP disclosed
EP-0539803-A1 Triazospirodecanone-methyl-chromans for the treatment of central nervous system illnesses BAYER AG (DE) 1993-05-05 EP disclosed
EP-0352613-A2 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1990-01-31 EP disclosed