SCHEMBL5050846

SCHEMBL5050846

C=C(C)C(=O)NCC(C)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.38
MMP8 P22894 1/20 0.38
TGFBR1 P36897 1/20 0.35
RXFP1 Q9HBX9 1/20 0.33
ANPEP P15144 2/20 0.32
LAP3 P28838 2/20 0.31
TSHR P16473 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 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
SCHEMBL4558102 0.81 MMP1 (0.36) MMP1MMP8TGFBR1RXFP1ANPEP
SCHEMBL5052505 0.81 ANPEP (0.34) MMP1MMP8TGFBR1RXFP1ANPEP
SCHEMBL15032916 0.79 TGFBR1 (0.34) MMP1MMP8TGFBR1ANPEP
SCHEMBL5038703 0.78 TGFBR1 (0.33) MMP1MMP8TGFBR1
SCHEMBL5053966 0.78 LAP3 (0.36) MMP1MMP8TGFBR1ANPEPLAP3
SCHEMBL5057373 0.78 CA12 (0.36) MMP1TGFBR1CYP2C19KDM4E
SCHEMBL366427 0.77 CYP2D6 (0.52) MMP1MMP8TGFBR1RXFP1TSHR
SCHEMBL21572120 0.77 MMP1 (0.35) MMP1MMP8TGFBR1RXFP1TSHR
SCHEMBL9289423 0.75 TGFBR1 (0.39) MMP1MMP8TGFBR1RXFP1TSHR
SCHEMBL12642676 0.75 TGFBR1 (0.39) MMP1MMP8TGFBR1RXFP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080281014-A1 Nanosubstance-Containing Composition, Process for Producing the Same, and Composite Made With the Same MITSUBISHI RAYON CO., LTD. (JP) 2008-11-13 US disclosed