SCHEMBL28049819

SCHEMBL28049819

C=C(C)C(=O)NN(CC)CCC

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.32
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL28825757 0.92 CA12 (0.37) TGFBR1CA12CA2CA9
SCHEMBL27525063 0.87 KDM4E (0.37) TGFBR1KDM4EL3MBTL1
SCHEMBL2744545 0.87 TSHR (0.41)
Bromide SCHEMBL28446261 0.85 TSHR (0.40)
SCHEMBL9116946 0.82 CA12 (0.42) TGFBR1CA12CA2CA9
SCHEMBL28049766 0.81 HDAC3 (0.30)
SCHEMBL28825754 0.78 TGFBR1 (0.35) TGFBR1KDM4E
SCHEMBL28049767 0.78 CES1 (0.34) CA12CA9
SCHEMBL3652203 0.78 EPHX2 (0.33) TGFBR1
SCHEMBL8752826 0.78 TGFBR1 (0.33) TGFBR1CA12CA2CA9

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
CN-102863666-B Rubber composition for tire and pneumatic tyre SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-03-02 CN disclosed
CN-103958591-B Rubber composition for tire and pneumatic tyre SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-02-03 CN disclosed