SCHEMBL28825754

SCHEMBL28825754

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.35
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL28049819 0.78 TGFBR1 (0.32) TGFBR1KDM4E
SCHEMBL28825757 0.78 CA12 (0.37) TGFBR1TSHRALDH1A1
SCHEMBL8752826 0.76 TGFBR1 (0.33) TGFBR1ALDH1A1
SCHEMBL6659218 0.75
Hydrochloric Acid SCHEMBL10949710 0.74 TGFBR1 (0.32) TGFBR1
SCHEMBL28029776 0.74 TSHR (0.33) TGFBR1TSHR
SCHEMBL28059470 0.74 CA12 (0.32) TSHR
SCHEMBL9116946 0.72 CA12 (0.42) TGFBR1TSHRALDH1A1
SCHEMBL26105865 0.72 TGFBR1 (0.33) TGFBR1ALDH1A1
SCHEMBL6582444 0.72 TGFBR1 (0.31) TGFBR1KDM4EALDH1A1

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