SCHEMBL5886104

SCHEMBL5886104

CCCCCCCC[N+](CC)(CC)CC.CCOOS(=O)(=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.53
SLC22A1 O15245 3/20 0.43
TSHR P16473 3/20 0.42
HIF1A Q16665 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RECQL P46063 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.41
BLM P54132 1/20 0.41
SLC22A2 O15244 1/20 0.40
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL5886203 1.00 DNM1 (0.53) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL6617795 0.90 DNM1 (0.61) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL6616485 0.84 SLC22A1 (0.56) DNM1SLC22A1TSHRHIF1AALDH1A1
Tetrahexylammonium SCHEMBL7662222 0.84 SLC22A1 (0.56) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL6898223 0.83 DNM1 (0.57) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL4958512 0.83 DNM1 (0.57) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL11016989 0.83 DNM1 (0.57) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL8493186 0.82 DNM1 (0.61) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL30255439 0.82 DNM1 (0.61) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL593116 0.82 DNM1 (0.61) DNM1SLC22A1TSHRHIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7008508-B2 Composition for increasing wet strength of paper including water-soluble blocked urethane prepolymers DAI ICHI KOGYO SEIYAKU CO. (JP) 2006-03-07 US claimed
US-7008508-B2 Composition for increasing wet strength of paper including water-soluble blocked urethane prepolymers DAI ICHI KOGYO SEIYAKU CO. (JP) 2006-03-07 US disclosed
EP-1308558-A2 Composition for increasing wet strength of paper DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2003-05-07 EP disclosed
US-20030083427-A1 Composition for increasing wet strength of paper including water-soluble blocked urethane prepolymers DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2003-05-01 US disclosed