SCHEMBL7530155

SCHEMBL7530155

CCCC(N=C=O)C(C)(N=C=O)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL4810914 0.78
SCHEMBL4806076 0.78
SCHEMBL6549799 0.74
SCHEMBL50317 0.74
SCHEMBL11697926 0.73
SCHEMBL25176249 0.72
SCHEMBL7955782 0.72
SCHEMBL25170508 0.70 CA2 (0.31)
SCHEMBL2106039 0.70 ALDH1A1 (0.32)
SCHEMBL1274256 0.70 ALDH1A1 (0.32)

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
US-20020115814-A1 Incorporation by reference of co-pending application WOODHOUSE KIMBERLY ANN (US) 2002-08-22 US disclosed
US-6221997-B1 FOR USE IN WOUND DRESSINGS WOODHOUSE KIMBERLY ANN (CA) 2001-04-24 US disclosed