SCHEMBL3688871

SCHEMBL3688871

O=C=NCCC(O)COCCOCCO

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.33
MAPK1 P28482 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
SCHEMBL3693096 0.97 TSHR (0.31) MEN1KMT2ATSHRMAPK1
Crotonic Acid SCHEMBL3697111 0.85
SCHEMBL11353650 0.84 KDM4E (0.30)
Crotonic Acid SCHEMBL3704369 0.82
Tetraethylene Glycol SCHEMBL8958376 0.78 MEN1 (0.50) MEN1KMT2ATSHRMAPK1
Triethylene Glycol SCHEMBL8958185 0.78 MEN1 (0.50) MEN1KMT2ATSHRMAPK1
SCHEMBL3688875 0.78 MEN1 (0.50) MEN1KMT2ATSHRMAPK1
SCHEMBL3693098 0.78 MEN1 (0.50) MEN1KMT2ATSHRMAPK1
SCHEMBL7206346 0.76 MEN1 (0.52) MEN1KMT2ATSHRMAPK1
SCHEMBL20262946 0.76 MEN1 (0.52) MEN1KMT2ATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795353-B2 Method for producing a modified propylene polymer SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-20060148995-A1 Method for producing a modified propylene polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-07-06 US disclosed