SCHEMBL4556916

SCHEMBL4556916

C=C(N)CCC(=C)C(=O)OP(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.43
PEPD P12955 1/20 0.39

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
SCHEMBL11758099 0.82 PEPD (0.40) CA4PEPD
SCHEMBL174835 0.82 PEPD (0.45) CA4PEPD
SCHEMBL28375 0.79 PEPD (0.41) CA4PEPD
SCHEMBL17335740 0.78 PEPD (0.40) CA4PEPD
SCHEMBL25416235 0.78 PEPD (0.40) CA4PEPD
SCHEMBL427220 0.76 PEPD (0.39) CA4PEPD
SCHEMBL10603028 0.74 PEPD (0.38) CA4PEPD
SCHEMBL27590764 0.74 CA1 (0.39) PEPD
SCHEMBL10508634 0.74 PEPD (0.44) CA4PEPD
SCHEMBL22534514 0.72 PEPD (0.43) CA4PEPD

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-20090264551-A1 Photocurable fixture for orthopedic surgery background of the invention ALCARE CO., LTD. 2009-10-22 US disclosed