SCHEMBL4953573

SCHEMBL4953573

CCCCCCCCCCCC[N+](CC)(CC)CCCS(=O)(=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.56
BBOX1 O75936 2/20 0.55
SLC22A1 O15245 3/20 0.50
TSHR P16473 2/20 0.48
HIF1A Q16665 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SLC22A2 O15244 1/20 0.46
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL11880843 0.96 DNM1 (0.56) DNM1BBOX1SLC22A1TSHRHIF1A
SCHEMBL9619257 0.92 DNM1 (0.56) DNM1BBOX1SLC22A1TSHRHIF1A
SCHEMBL26789444 0.92 BBOX1 (0.59) DNM1BBOX1SLC22A1TSHRHIF1A
Tetrahexylammonium SCHEMBL31179683 0.90 SLC22A1 (0.56) DNM1BBOX1SLC22A1TSHRHIF1A
SCHEMBL6932855 0.90 DNM1 (0.62) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL31179747 0.90 SLC22A1 (0.56) DNM1BBOX1SLC22A1TSHRHIF1A
SCHEMBL31179787 0.90 SLC22A1 (0.56) DNM1BBOX1SLC22A1TSHRHIF1A
Tetrahexylammonium SCHEMBL31179795 0.90 SLC22A1 (0.56) DNM1BBOX1SLC22A1TSHRHIF1A
Tetrahexylammonium SCHEMBL31179777 0.90 SLC22A1 (0.56) DNM1BBOX1SLC22A1TSHRHIF1A
SCHEMBL31179775 0.90 SLC22A1 (0.56) DNM1BBOX1SLC22A1TSHRHIF1A

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-20080025993-A1 Method for Refolding Neisserial Nspa Protein GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2008-01-31 US disclosed
EP-0639159-B1 APPARATUS AND PROCESS FOR REMOVAL OF POLLUTANTS FROM WASTE WATER ALLIED SIGNAL INC (US) 1996-11-06 EP disclosed
EP-0639159-A1 APPARATUS AND PROCESS FOR REMOVAL OF POLLUTANTS FROM WASTE WATER. ALLIED SIGNAL INC (US) 1995-02-22 EP disclosed
WO-1993022245-A1 APPARATUS AND PROCESS FOR REMOVAL OF POLLUTANTS FROM WASTE WATER ALLIED-SIGNAL INC. (US) 1993-11-11 WO disclosed