SCHEMBL3279541

SCHEMBL3279541

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
TSHR P16473 2/20 0.35
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
CES1 P23141 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 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
SCHEMBL3282452 0.90 CA12 (0.36) CA12CA1CA9TSHRMMP1
SCHEMBL3280305 0.89 CA12 (0.35) CA12CA1CA9TSHRMMP1
SCHEMBL2550844 0.88 CA12 (0.31) CA12CA9
SCHEMBL3285680 0.87 TSHR (0.38) CA12CA1CA9TSHRMMP1
SCHEMBL3280802 0.85 TSHR (0.41) CA12CA1CA9TSHRCES1
SCHEMBL3280987 0.85 CA12 (0.37) CA12CA1CA9TSHRMMP1
SCHEMBL3280480 0.85 CA12 (0.35) CA12CA1CA9TSHRMMP1
SCHEMBL3279957 0.82 CA12 (0.36) CA12CA1CA9TSHRMMP1
SCHEMBL633119 0.81 TDP1 (0.32)
SCHEMBL3280644 0.79 TSHR (0.38) CA12CA1CA9TSHRCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106046247-A CO 2 responsive hyperbranched polymer and preparation method and application thereof 浙江工业大学 2016-10-26 CN claimed
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US claimed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US claimed
CN-106046247-B CO (carbon monoxide)2Responsive hyperbranched polymer and preparation method and application thereof 浙江工业大学 2018-03-06 CN disclosed
CN-103450515-B Rubber compound used for studless tire and studless tire 住友橡胶工业株式会社 2017-05-24 CN disclosed
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US disclosed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US disclosed
CN-1246405-C Improved coating and coating composition ROHM & HAAS (US) 2006-03-22 CN disclosed
CN-1407044-A Improved coating and coating composition ROHM & HAAS (US) 2003-04-02 CN disclosed