SCHEMBL4988124

SCHEMBL4988124

C(=NCCN1CCOCC1)=NC1CCCCC1.COc1cc(C)ccc1S(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.40
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SYK P43405 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 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
SCHEMBL335422 0.89 CYP1A2 (0.59) CYP1A2CYP2C9LMNATHRBPOLB
SCHEMBL31278334 0.89 CYP1A2 (0.59) CYP1A2CYP2C9LMNATHRBPOLB
SCHEMBL9436866 0.88 CYP1A2 (0.59) CYP1A2CYP2C9THRBNPC1POLB
SCHEMBL4988129 0.85 CYP1A2 (0.56) CYP1A2CYP2C9SMN1; SMN2MEN1KMT2A
P-Xylene SCHEMBL3752326 0.85 CYP1A2 (0.70) CYP1A2CYP2C9SMN1; SMN2POLBALDH1A1
SCHEMBL6233302 0.85 CYP1A2 (0.53) CYP1A2CYP2C9MCOLN3LMNATHRB
SCHEMBL9875276 0.84 CYP1A2 (0.55) CYP1A2CYP2C9LMNAPOLBMEN1
SCHEMBL3459786 0.84 CYP1A2 (0.65) CYP1A2CYP2C9LMNASMN1; SMN2NPC1
SCHEMBL4015131 0.82 CYP1A2 (0.61) CYP1A2CYP2C9LMNASMN1; SMN2NPC1
SCHEMBL10752281 0.81 CYP1A2 (0.58) CYP1A2CYP2C9NPC1RAB9AALDH1A1

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