SCHEMBL4988129

SCHEMBL4988129

C(=NCCN1CCOCC1)=NC1CCCCC1.COc1cc(S(=O)(=O)O)ccc1C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EP300 Q09472 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL335424 0.90 CYP1A2 (0.61) CYP1A2CYP2C9MEN1KMT2AALDH1A1
SCHEMBL6233308 0.85 CYP1A2 (0.55) CYP1A2CYP2C9ALDH1A1MAPK1SMN1; SMN2
SCHEMBL9875276 0.85 CYP1A2 (0.55) CYP1A2CYP2C9MEN1KMT2AHIF1A
SCHEMBL4988124 0.85 CYP1A2 (0.55) CYP1A2CYP2C9MEN1KMT2AALDH1A1
SCHEMBL3459786 0.85 CYP1A2 (0.65) CYP1A2CYP2C9MEN1KMT2AALDH1A1
SCHEMBL9436866 0.83 CYP1A2 (0.59) CYP1A2CYP2C9MEN1KMT2AALDH1A1
SCHEMBL7072020 0.83 CYP1A2 (0.59) CYP1A2CYP2C9MEN1KMT2AEP300
SCHEMBL19433083 0.83 CYP1A2 (0.59) CYP1A2CYP2C9MEN1KMT2ASMN1; SMN2
SCHEMBL7135046 0.83 CYP1A2 (0.54) CYP1A2CYP2C9MEN1KMT2AHIF1A
SCHEMBL10752281 0.82 CYP1A2 (0.58) CYP1A2CYP2C9ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080107702-A1 Method for the Immobilization of Mediator Molecules on Inorganic and Metallic Implant Materials MORPHOPLANT GMBH 2008-05-08 US disclosed
US-7255872-B2 Method for immobilization of mediator molecules on metallic and ceramic implant materials MORPHOPLANT GMBH (DE) 2007-08-14 US disclosed
US-20040074568-A1 Method for the immobilization of mediator molecules on inorganic and metallic implant materials JENNISSEN HERBERT PETER (DE) 2004-04-22 US disclosed
US-6635269-B1 Dialdehyde anchor molecule to bind antibiotic, BMP, ubiquitin to oxidized surface, used as artificial joint or cornary stent MORPHOPLANT GMBH (DE) 2003-10-21 US 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