SCHEMBL7712937

SCHEMBL7712937

CC(CCl)CC(S)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 3/20 0.60
FOLH1 Q04609 1/20 0.38
TDP1 Q9NUW8 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
PTGS2 P35354 1/20 0.34
ENPEP Q07075 2/20 0.33
SLC7A5 Q01650 1/20 0.33
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ABCB11 O95342 1/20 0.32
F2 P00734 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 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
SCHEMBL8517982 0.79 RNPEP (0.62) RNPEPFOLH1TDP1ALDH1A1LMNA
SCHEMBL1132140 0.76 NAALAD2 (0.45) RNPEPFOLH1ALDH1A1ENPEPSLC7A5
SCHEMBL414209 0.76 RNPEP (0.58) RNPEPFOLH1TDP1ALDH1A1LMNA
SCHEMBL2975896 0.75
SCHEMBL2978202 0.75
SCHEMBL11664443 0.75
SCHEMBL2203032 0.75
SCHEMBL10659769 0.75
SCHEMBL3093445 0.74 RNPEP (0.68) RNPEPFOLH1TDP1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7712938 0.73 RNPEP (0.95) RNPEPFOLH1TDP1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6361872-B1 CORROSION RESISTANCE FOR METAL SURFACES WITH MERCAPTO COMPOUNDS AND CURING AGENTS METAL COATINGS INTERNATIONAL INC. 2002-03-26 US disclosed
WO-1999060187-A1 METAL SURFACE TREATMENT AGENTS, METHODS OF TREATING METAL SURFACES AND PRE-COATED STEEL SHEETS DACRAL S.A. (FR) 1999-11-25 WO disclosed