SCHEMBL6597962

SCHEMBL6597962

C=CC(=O)OC(CC)C(=O)N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 4/20 0.33
HPGD P15428 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.32
PIK3CD O00329 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP8 P22894 1/20 0.31
DPP4 P27487 2/20 0.30
DPP7 Q9UHL4 2/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6598455 0.78 L3MBTL1 (0.41) KMT2ATSHRHPGDL3MBTL1SMN1; SMN2
SCHEMBL4643831 0.73 TSHR (0.41) TSHRHPGDHSD17B10SMN1; SMN2
SCHEMBL10349085 0.72 TSHR (0.34) TSHRHPGDL3MBTL1DPP7MAPT
SCHEMBL28431788 0.70 TSHR (0.42) TSHRHPGDHSD17B10GAASMN1; SMN2
Bromide SCHEMBL1301958 0.70 TSHR (0.38) TSHRHPGDHSD17B10
SCHEMBL5935037 0.70 TSHR (0.42) MEN1KMT2ATSHRHPGDHSD17B10
SCHEMBL10430818 0.69 TSHR (0.37) TSHRHPGDHSD17B10
SCHEMBL3764767 0.68 TSHR (0.39) TSHRHPGDHSD17B10SMN1; SMN2
Phosphoric Acid SCHEMBL29907251 0.68 TSHR (0.36) TSHRHPGDHSD17B10SMN1; SMN2
SCHEMBL27690811 0.68 TSHR (0.36) TSHRHPGDHSD17B10

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
EP-0828778-B1 CLATHRATE HYDRATE INHIBITOR AND METHOD OF INHIBITING THE FORMATION OF CLATHRATE HYDRATES USING IT NIPPON CATALYTIC CHEM IND (JP) 2004-05-12 EP disclosed
US-6232273-B1 MACROMOLECULAR COMPOUND WITH NITROGEN-CONTAINING RING PENDANT TO THE POLYMER CHAIN, SUCH AS POLYMER OF (METH)ACRYLOYL PYRROLIDINE, PYRROLIDINOCARBONYLETHYL (METH)ACRYLATE, 2-OXO-PYRROLIDINO-ETHYL (METH)ACRYLATE, ETC. NIPPON SHOKUBAI CO., LTD. (JP) 2001-05-15 US disclosed