SCHEMBL5862617

SCHEMBL5862617

N=C(NCCC(=O)O)S(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.42
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
APEX1 P27695 1/20 0.36
PLA2G2A P14555 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
PRMT1 Q99873 1/20 0.34
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ADRA1A P35348 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL5862489 0.88 PRMT1 (0.45) LMNAHTTPRMT1ADRA1A
SCHEMBL5862662 0.84 PRMT1 (0.57) LMNAPLA2G2APRMT1ADRA1A
SCHEMBL5863035 0.77 EGLN1 (0.37) ECE1LMNAAPEX1PLA2G2AKDM4E
SCHEMBL5862626 0.73
SCHEMBL5863024 0.73
Ompenaclid SCHEMBL33761 0.70
SCHEMBL28058101 0.70
SCHEMBL8745070 0.70
SCHEMBL5863044 0.69
SCHEMBL10002701 0.69

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-7070770-B1 Compositions for the permanent deformation of the hair comprising at least one formamidinesulphinic acid derivative L'OREAL S.A. (FR) 2006-07-04 US claimed
US-7070770-B1 Compositions for the permanent deformation of the hair comprising at least one formamidinesulphinic acid derivative L'OREAL S.A. (FR) 2006-07-04 US disclosed
EP-1349534-A2 COMPOSITION FOR THE PERMANENT DEFORMATION OF THE HAIR COMPRISING AT LEAST ONE FORMAMIDINESULPHINIC ACID DERIVATIVE l'Oreal SA (FR) 2003-10-08 EP disclosed
WO-2002039965-A2 COMPOSITION FOR THE PERMANENT DEFORMATION OF THE HAIR COMPRISING AT LEAST ONE FORMAMIDINESULPHINIC ACID DERIVATIVE L'OREAL SA (FR) 2002-05-23 WO disclosed