SCHEMBL4368473

SCHEMBL4368473

NCCCNC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 3/20 0.48
LMNA P02545 2/20 0.48
CYP3A4 P08684 1/20 0.48
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
ANPEP P15144 2/20 0.47
DRD3 P35462 1/20 0.44
ALDH1A1 P00352 1/20 0.40
GABBR2 O75899 3/20 0.39
GABBR1 Q9UBS5 3/20 0.39
CYP1A2 P05177 2/20 0.39
THPO P40225 2/20 0.39
TSHR P16473 1/20 0.39
ERAP2 Q6P179 1/20 0.37
FDPS P14324 2/20 0.37
PDE3A Q14432 1/20 0.37
CASP2 P42575 2/20 0.36
MEN1 O00255 1/20 0.36
CA12 O43570 1/20 0.36
F13A1 P00488 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
SCHEMBL17187190 0.82 S1PR2 (0.40) ANPEPERAP2FDPSCA12CA2
SCHEMBL18230241 0.82 ANPEP (0.53) BLMLMNACYP3A4NFKB1PMP22
SCHEMBL371419 0.80 BLM (0.43) BLMLMNACYP3A4NFKB1PMP22
SCHEMBL731378 0.79 MMP2 (0.39) ANPEPERAP2CA12CA2CA9
SCHEMBL10613308 0.78 ANPEP (0.34) LMNAANPEPALDH1A1FDPSCA12
Medronic Acid SCHEMBL7140996 0.77 ANPEP (0.48) BLMLMNACYP3A4NFKB1PMP22
(Butylamino)Methylenediphosphonic Acid SCHEMBL7786904 0.76 MMP2 (0.48) ANPEPERAP2FDPS
SCHEMBL18825604 0.74 CNR1 (0.36) ANPEPERAP2CA12CA2CA9
(Pentylamino)Methylenediphosphonic Acid SCHEMBL6532378 0.74 S1PR2 (0.53) ANPEPERAP2FDPS
SCHEMBL10456857 0.74 BLM (0.52) BLMLMNACYP3A4NFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987173-B1 CORROSION INHIBITOR TREATMENT FOR CLOSED LOOP SYSTEMS GEN ELECTRIC (US) 2016-03-30 EP claimed
US-7632458-B2 Corrosion inhibitor treatment for closed loop systems GENERAL ELECTRIC COMPANY (US) 2009-12-15 US claimed
EP-1987173-A2 CORROSION INHIBITOR TREATMENT FOR CLOSED LOOP SYSTEMS GENERAL ELECTRIC COMPANY (US) 2008-11-05 EP claimed
WO-2007089405-A2 CORROSION INHIBITOR TREATMENT FOR CLOSED LOOP SYSTEMS GENERAL ELECTRIC COMPANY (US) 2007-08-09 WO claimed
US-20070178008-A1 Corrosion inhibitor treatment for closed loop systems BL TECHNOLOGIES, INC. 2007-08-02 US claimed