SCHEMBL1784617

SCHEMBL1784617

CCCCOP(=O)(NC(N)=O)OCCCC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
LPAR3 Q9UBY5 4/20 0.42
LPAR1 Q92633 2/20 0.42
LPAR2 Q9HBW0 2/20 0.42
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL17860954 0.82 CYP3A4 (0.50) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL19386970 0.78 CYP3A4 (0.45) CYP3A4LPAR3LPAR1LPAR2MAPT
SCHEMBL17878613 0.78 CYP3A4 (0.45) CYP3A4LPAR3LPAR1LPAR2RAB9A
Aminomethylamide SCHEMBL29415552 0.73 CYP3A4 (0.48) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL17848859 0.72 CYP3A4 (0.47) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL29287023 0.71 CYP3A4 (0.56) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL4583913 0.69 CYP3A4 (0.54) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL10365939 0.69 CYP3A4 (0.48) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL21764714 0.69 CYP3A4 (0.48) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL1757360 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3178792-B1 METHOD OF SCALE INHIBITION ITALMATCH CHEMICALS SPA (IT) 2021-04-14 EP disclosed
EP-3178792-A1 METHOD OF SCALE INHIBITION Italmatch Chemicals S.P.A. (IT) 2017-06-14 EP disclosed
US-9108866-B2 Method of scale inhibition ITALMATCH CHEMICALS SPA (IT) 2015-08-18 US disclosed
US-20130264289-A1 METHOD OF SCALE INHIBITION ITALMATCH CHEMICALS SPA (IT) 2013-10-10 US disclosed
US-8461088-B2 Method of scale inhibition DEQUEST AG (CH) 2013-06-11 US disclosed
WO-2009092738-A9 METHOD OF WATER TREATMENT DEQUEST AG (CH) 2013-05-10 WO disclosed
US-20110133116-A1 METHOD OF WATER TREATMENT DEQUEST AG (CH) 2011-06-09 US disclosed
US-20110124533-A1 METHOD OF SCALE INHIBITION DEQUEST AG 2011-05-26 US disclosed
EP-2082991-A1 Method of Water Treatment Thermphos Trading GmbH (CH) 2009-07-29 EP disclosed
EP-1886976-A1 Method of scale inhibition Thermphos Trading GmbH (CH) 2008-02-13 EP disclosed