SCHEMBL7072020

SCHEMBL7072020

C(=NCCN1CCOCC1)=NC1CCCCC1.COCc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.44
EP300 Q09472 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE7A Q13946 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
ADAMTS4 O75173 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL335423 0.90 CYP1A2 (0.63) CYP1A2CYP2C9ALDH1A1LMNAHPGD
SCHEMBL3459786 0.88 CYP1A2 (0.65) CYP1A2CYP2C9ALDH1A1LMNAHPGD
SCHEMBL6233305 0.85 CYP1A2 (0.59) CYP1A2CYP2C9ALDH1A1LMNAHPGD
SCHEMBL335424 0.83 CYP1A2 (0.61) CYP1A2CYP2C9ALDH1A1HPGDKMT2A
SCHEMBL4988129 0.83 CYP1A2 (0.56) CYP1A2CYP2C9EP300HIF1AALDH1A1
SCHEMBL10516211 0.83 CYP1A2 (0.58) CYP1A2CYP2C9HIF1AALDH1A1MAPT
P-Xylene SCHEMBL3752326 0.82 CYP1A2 (0.70) CYP1A2CYP2C9ALDH1A1HTTSMN1; SMN2
SCHEMBL2729317 0.82 CYP1A2 (0.80) CYP1A2CYP2C9HIF1AALDH1A1PDE4D
Sulfuric Acid SCHEMBL31183034 0.82 CYP1A2 (0.84) CYP1A2CYP2C9HIF1AALDH1A1
SCHEMBL10387619 0.81 CYP1A2 (0.61) CYP1A2CYP2C9ALDH1A1LMNAPDE4D

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-1035879-B1 METHOD FOR IMMOBILIZING MEDIATOR MOLECULE ON INORGANIC AND METAL IMPLANT MATERIAL EFMT ENTWICKLUNGS UND FORSCHUN (DE) 2003-06-11 EP disclosed
EP-1035879-A2 METHOD FOR IMMOBILIZING MEDIATOR MOLECULE ON INORGANIC AND METAL IMPLANT MATERIAL Jennissen, Herbert P. (DE) 2000-09-20 EP disclosed
WO-1999026674-A2 METHOD FOR IMMOBILIZING MEDIATOR MOLECULE ON INORGANIC AND METAL IMPLANT MATERIAL JENNISSEN HERBERT P (DE) 1999-06-03 WO disclosed
EP-0279308-B1 Fluorescence polarization immunoassay for tetrahydrocannabinoids ABBOTT LAB (US) 1996-08-28 EP disclosed
EP-0264797-B1 Benzodiazepines assay, tracers, immunogens and antibodies ABBOTT LAB (US) 1996-01-10 EP disclosed
US-5463027-A Fluorescence polarazation immunoassay for tetrahydrocannabinoids ABBOTT LABORATORIES (US) 1995-10-31 US disclosed
US-5264373-A Fluorescence polarization immunoassay for tetrahydrocannabinoids ABBOTT LABORATORIES (US) 1993-11-23 US disclosed
US-5192687-A ELECTROENZYMATIC METHOD FOR PRODUCING COMPOUNDS OF CONTROLLED ENANTIOMERIC PURITY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1993-03-09 US disclosed
US-5144030-A Fluorescene polarization immunoassay for tetrahydrocannabinoids ABBOTT LABORATORIES (US) 1992-09-01 US disclosed
EP-0402846-A2 Fluorescence polarization immunoassay for tetrahydrocannabinoids ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed
EP-0279308-A2 Fluorescence polarization immunoassay for tetrahydrocannabinoids ABBOTT LABORATORIES (US) 1988-08-24 EP disclosed
EP-0264797-A2 Benzodiazepines assay, tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1988-04-27 EP disclosed