SCHEMBL5863035

SCHEMBL5863035

N=C(NCC(=O)O)S(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.37
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
PTGS2 P35354 1/20 0.35
ECE1 P42892 1/20 0.35
CTH P32929 1/20 0.33
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
APEX1 P27695 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HIF1A Q16665 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
PTPN1 P18031 1/20 0.31
MME P08473 2/20 0.31
PLA2G2A P14555 1/20 0.31
ABAT P80404 1/20 0.31

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
SCHEMBL5863044 0.82
SCHEMBL5862617 0.77 ECE1 (0.42) EGLN1TDP1LMNAECE1KMT2A
SCHEMBL5862489 0.74 PRMT1 (0.45) LMNATSHRSLC22A6
SCHEMBL5862662 0.71 PRMT1 (0.57) ALDH1A1LMNATSHRPLA2G2A
Guanidino Acetate SCHEMBL28208650 0.68 EGLN1 (0.38) EGLN1TDP1ALDH1A1MAPTLMNA
Aceturic Acid SCHEMBL8748013 0.68 CTH (0.44) EGLN1TDP1ALDH1A1MAPTLMNA
Guanidino Acetate SCHEMBL33970 0.67
SCHEMBL11130677 0.67 EGLN1 (0.46) EGLN1TDP1ALDH1A1MAPTLMNA
Guanidino Acetate SCHEMBL27413696 0.67 EGLN1 (0.41) EGLN1TDP1ALDH1A1MAPTLMNA
SCHEMBL14094847 0.67

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