SCHEMBL5076250

SCHEMBL5076250

CCCCNC(=O)N(CCCC)C(=O)CC#N

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.42
EPHX1 P07099 4/20 0.37
ACHE P22303 8/20 0.35
MMP2 P08253 1/20 0.35
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
DNM1 Q05193 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 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
SCHEMBL5078153 0.91 EPHX1 (0.43) MCL1EPHX1MGLLZDHHC20ZDHHC2
SCHEMBL9140846 0.83 MCL1 (0.36) MCL1ALDH1A1GAAZDHHC20ZDHHC2
SCHEMBL4047739 0.76 POLB (0.42) EPHX1GAA
SCHEMBL7641284 0.75 EPHX1 (0.42) EPHX1ACHEMMP2DNM1TSHR
SCHEMBL4046183 0.73 NAAA (0.38) MCL1EPHX1
SCHEMBL3070903 0.72 EPHX1 (0.40) EPHX1ACHEMMP2DNM1
SCHEMBL27543496 0.72 EPHX1 (0.46) EPHX1ZDHHC20ZDHHC2DNM1
SCHEMBL1962379 0.72 CA12 (0.47) MCL1MMP2ALDH1A1GAAZDHHC20
SCHEMBL319448 0.72 MCL1 (0.77) MCL1EPHX1ACHEMMP2MGLL
SCHEMBL5079020 0.71 MCL1 (0.52) MCL1MMP2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358286-B2 Stabilizer system for stabilizing PVC CHEMTURA VINYL ADDITIVES GMBH (DE) 2008-04-15 US disclosed
US-20060052497-A1 Stabilizer system for stabilizing pvc CROMPTON VINYL ADDITIVES GMBH (DE) 2006-03-09 US disclosed
EP-0708781-B1 A 3 ADENOSINE RECEPTOR AGONISTS USA (US) 2001-10-04 EP disclosed
US-5773423-A XANTHINE RIBOSIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-06-30 US disclosed
EP-0708781-A1 A 3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1996-05-01 EP disclosed
WO-1995002604-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-01-26 WO disclosed