SCHEMBL3279957

SCHEMBL3279957

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
EPHX2 P34913 1/20 0.33
KDM4C Q9H3R0 5/20 0.32
KDM5A P29375 4/20 0.32
CES1 P23141 2/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
PHF8 Q9UPP1 1/20 0.30
KDM4A O75164 1/20 0.30
DNM1 Q05193 2/20 0.30
CES2 O00748 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
SCHEMBL28377247 0.94 TSHR (0.39) TSHRALDH1A1EPHX2KDM4CKDM5A
Dodecane SCHEMBL28107387 0.89 TSHR (0.42) TSHRALDH1A1CES1THRATHRB
SCHEMBL133347 0.88 CA12 (0.32) CA12CA9TSHRALDH1A1
SCHEMBL3282452 0.84 CA12 (0.36) CA12CA1CA9TSHRALDH1A1
Butylamine SCHEMBL28830214 0.83 DNM1 (0.32) TSHRDNM1
SCHEMBL3280305 0.82 CA12 (0.35) CA12CA1CA9TSHRMMP1
SCHEMBL3279541 0.82 CA12 (0.37) CA12CA1CA9TSHRMMP1
SCHEMBL3285680 0.81 TSHR (0.38) CA12CA1CA9TSHRMMP1
SCHEMBL3280802 0.79 TSHR (0.41) CA12CA1CA9TSHRALDH1A1
SCHEMBL375629 0.79 EPHX2 (0.45) CA12CA1CA9TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110894259-B Water-absorbent resin suitable for high-concentration brine and preparation method thereof 北部湾大学 2021-12-21 CN claimed
CN-110894259-A Water-absorbent resin suitable for high-concentration brine and preparation method thereof 北部湾大学 2020-03-20 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-110894259-B Water-absorbent resin suitable for high-concentration brine and preparation method thereof 北部湾大学 2021-12-21 CN disclosed
CN-110894259-A Water-absorbent resin suitable for high-concentration brine and preparation method thereof 北部湾大学 2020-03-20 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
CN-1384399-A Photoresist composition HIPRAY CORP (US) 2002-12-11 CN disclosed