SCHEMBL28049100

SCHEMBL28049100

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.38
ALDH1A1 P00352 3/20 0.33
PLAAT3 P53816 1/20 0.33
PLAAT5 Q96KN8 1/20 0.33
PLAAT2 Q9NWW9 1/20 0.33
PLAAT4 Q9UL19 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
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
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
PAOX Q6QHF9 1/20 0.31
MCL1 Q07820 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 SCHEMBL7054899 0.98 TGFBR1 (0.37) TGFBR1ALDH1A1PLAAT3PLAAT5PLAAT2
SCHEMBL14949 0.89
N,N-Dimethylethanaminium SCHEMBL446422 0.87 TGFBR1 (0.38) TGFBR1ALDH1A1PLAAT3PLAAT5PLAAT2
Trimethylammonium SCHEMBL444000 0.86 TGFBR1 (0.41) TGFBR1ALDH1A1PLAAT3PLAAT5PLAAT2
Potassium SCHEMBL3659436 0.86
Hydrochloric Acid SCHEMBL15846120 0.86
Ammonia Solution, Strong SCHEMBL7047319 0.86
N,N-Dimethylethanaminium SCHEMBL7057093 0.85 TGFBR1 (0.37) TGFBR1ALDH1A1PLAAT3PLAAT5PLAAT2
Trimethylammonium SCHEMBL895151 0.84 TGFBR1 (0.39) TGFBR1ALDH1A1PLAAT3PLAAT5PLAAT2
Trimethylammonium SCHEMBL869214 0.84 TGFBR1 (0.39) TGFBR1ALDH1A1PLAAT3PLAAT5PLAAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105164171-A Process for producing high-swellability polymer composites BASF SE 2015-12-16 CN disclosed