SCHEMBL7743449

SCHEMBL7743449

C=C(C)C(=O)OCCOCCNCCCS(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
TSHR P16473 3/20 0.41
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL717202 0.93 TSHR (0.44) THRBTSHRPOLBAPEX1HTT
Water SCHEMBL14917550 0.91 TSHR (0.42) THRBTSHRPOLBAPEX1HTT
SCHEMBL11322530 0.85 THRB (0.54) THRBTSHRPOLBAPEX1HTT
SCHEMBL17307122 0.84 THRB (0.66) THRBTSHRPOLBAPEX1HTT
SCHEMBL18140915 0.83 THRB (0.59) THRBTSHRPOLBAPEX1HTT
SCHEMBL18140705 0.83 THRB (0.59) THRBTSHRPOLBAPEX1HTT
SCHEMBL19427400 0.83 THRB (0.55) THRBTSHRPOLBAPEX1HTT
Ammonia Solution, Strong SCHEMBL18140601 0.82 THRB (0.58) THRBTSHRPOLBAPEX1HTT
Ammonia Solution, Strong SCHEMBL18140469 0.82 THRB (0.58) THRBTSHRPOLBAPEX1HTT
Glycinebetaine SCHEMBL5491265 0.81 TSHR (0.35) THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869766-B1 COMPOSITIONS FOR THE TREATMENT OF KERATINIC MATERIALS CONTAINING THE ASSOCIATION OF A POLYAMPHOLYTE POLYMER AND A CATIONIC POLYMER OREAL (FR) 2001-11-21 EP claimed
EP-0906081-A1 COMPOSITIONS FOR TREATING KERATINIC MATERIALS CONTAINING THE ASSOCIATION OF A POLYAMPHOLYTE POLYMER AND A NON- VOLATILE AND WATER INSOLUBLE ORGANOPOLYSILOXANE L'OREAL (FR) 1999-04-07 EP claimed
EP-0869766-A1 COMPOSITIONS FOR THE TREATMENT OF KERATINIC MATERIALS CONTAINING THE ASSOCIATION OF A POLYAMPHOLYTE POLYMER AND A CATIONIC POLYMER L'OREAL (FR) 1998-10-14 EP claimed
WO-1997042931-A1 COMPOSITIONS FOR TREATING KERATINIC MATERIALS CONTAINING THE ASSOCIATION OF A POLYAMPHOLYTE POLYMER AND A NON- VOLATILE AND WATER INSOLUBLE ORGANOPOLYSILOXANE L'OREAL (FR) 1997-11-20 WO claimed
WO-1997023193-A1 COMPOSITIONS FOR THE TREATMENT OF KERATINIC MATERIALS CONTAINING THE ASSOCIATION OF A POLYAMPHOLYTE POLYMER AND A CATIONIC POLYMER L'OREAL (FR) 1997-07-03 WO claimed
EP-0869766-B1 COMPOSITIONS FOR THE TREATMENT OF KERATINIC MATERIALS CONTAINING THE ASSOCIATION OF A POLYAMPHOLYTE POLYMER AND A CATIONIC POLYMER OREAL (FR) 2001-11-21 EP disclosed
EP-0906081-A1 COMPOSITIONS FOR TREATING KERATINIC MATERIALS CONTAINING THE ASSOCIATION OF A POLYAMPHOLYTE POLYMER AND A NON- VOLATILE AND WATER INSOLUBLE ORGANOPOLYSILOXANE L'OREAL (FR) 1999-04-07 EP disclosed
EP-0869766-A1 COMPOSITIONS FOR THE TREATMENT OF KERATINIC MATERIALS CONTAINING THE ASSOCIATION OF A POLYAMPHOLYTE POLYMER AND A CATIONIC POLYMER L'OREAL (FR) 1998-10-14 EP disclosed
WO-1997042931-A1 COMPOSITIONS FOR TREATING KERATINIC MATERIALS CONTAINING THE ASSOCIATION OF A POLYAMPHOLYTE POLYMER AND A NON- VOLATILE AND WATER INSOLUBLE ORGANOPOLYSILOXANE L'OREAL (FR) 1997-11-20 WO disclosed
WO-1997023193-A1 COMPOSITIONS FOR THE TREATMENT OF KERATINIC MATERIALS CONTAINING THE ASSOCIATION OF A POLYAMPHOLYTE POLYMER AND A CATIONIC POLYMER L'OREAL (FR) 1997-07-03 WO disclosed