SCHEMBL409528

SCHEMBL409528

C=CC(=O)NCC.CCN(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 3/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
TGM2 P21980 2/20 0.35
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
MCL1 Q07820 1/20 0.30
SLC6A19 Q695T7 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
Hydrochloric Acid SCHEMBL7058597 0.98 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL15005 0.89
SCHEMBL17047583 0.89 TSHR (0.62) ALDH1A1TSHRMAPK1TDP1ZDHHC20
N,N-Dimethylethanaminium SCHEMBL446715 0.87 TSHR (0.50) ALDH1A1TSHRMAPK1TDP1ZDHHC20
Trimethylammonium SCHEMBL156970 0.86 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1TDP1ZDHHC20
Ammonia Solution, Strong SCHEMBL7047525 0.86
Hydrochloric Acid SCHEMBL3129031 0.86
Water SCHEMBL27545150 0.86
SCHEMBL3661744 0.86
N,N-Dimethylethanaminium SCHEMBL7058041 0.85 TSHR (0.48) ALDH1A1TSHRMAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376219-B1 METHOD FOR CONTROLLING WATER EVAPORATION UNIV MELBOURNE (AU) 2018-03-14 EP disclosed
US-8696987-B2 Method for controlling water evaporation POLYMERS CRC LTD (AU) 2014-04-15 US disclosed
US-20120018387-A1 METHOD FOR CONTROLLING WATER EVAPORATION POLYMERS CRC LTD (AU) 2012-01-26 US disclosed
EP-2376219-A1 METHOD FOR CONTROLLING WATER EVAPORATION Polymers CRC Limited (AU) 2011-10-19 EP disclosed
WO-2010071931-A1 METHOD FOR CONTROLLING WATER EVAPORATION POLYMERS CRC LTD (AU) 2010-07-01 WO disclosed