SCHEMBL672541

SCHEMBL672541

C=C(C)C(=O)N(CCN)C(=O)C(=C)C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
PAOX Q6QHF9 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
SCHEMBL31678982 0.80 TSHR (0.37) TDP1
SCHEMBL446931 0.79 TDP1 (0.36) TDP1
SCHEMBL2184776 0.78 MAPT (0.33) TDP1
SCHEMBL4380617 0.78 TDP1 (0.33) TDP1
SCHEMBL9639792 0.77 TDP1 (0.35) TDP1
SCHEMBL16742986 0.76 TDP1 (0.33) TDP1
SCHEMBL1038718 0.76 TDP1 (0.33) TDP1
SCHEMBL27534700 0.76 TDP1 (0.39) TDP1
SCHEMBL492525 0.74 TDP1 (0.32) TDP1
SCHEMBL28056264 0.74 PAOX (0.34) TDP1PAOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012023100-A1 POLYMER BOUND METALLOPHTHALOCYANINES MINTEK (ZA) 2012-02-23 WO claimed
US-6379599-B1 Process for the preparation of molecularly imprinted polymers useful for separation of enzymes COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-04-30 US claimed
WO-2012023100-A1 POLYMER BOUND METALLOPHTHALOCYANINES MINTEK (ZA) 2012-02-23 WO disclosed