SCHEMBL25762152

SCHEMBL25762152

CC(C)(C)CCC(=O)NC(C)(C)CS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.42
GRK2 P25098 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
APAF1 O14727 1/20 0.42
DNMT1 P26358 1/20 0.42
PTPN7 P35236 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PPP1CA P62136 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
CACNA1H O95180 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
SCHEMBL26183753 0.86 ALDH1A1 (0.41) ALDH1A1POLBGRK2L3MBTL1APAF1
SCHEMBL13714955 0.83 ALDH1A1 (0.48) ALDH1A1POLBGRK2L3MBTL1APAF1
SCHEMBL13751136 0.81 POLB (0.42) ALDH1A1POLBGRK2L3MBTL1APAF1
SCHEMBL24554850 0.80 POLB (0.41) ALDH1A1POLBGRK2L3MBTL1APAF1
SCHEMBL25687927 0.80 POLB (0.41) ALDH1A1POLBGRK2L3MBTL1APAF1
SCHEMBL14620941 0.79 POLB (0.40) ALDH1A1POLBGRK2L3MBTL1APAF1
SCHEMBL10024846 0.79 L3MBTL1 (0.40) ALDH1A1POLBGRK2L3MBTL1APAF1
SCHEMBL16247870 0.77 POLB (0.40) ALDH1A1POLBGRK2L3MBTL1APAF1
SCHEMBL28408035 0.77 L3MBTL1 (0.39) ALDH1A1POLBGRK2L3MBTL1APAF1
SCHEMBL6891769 0.77 POLB (0.37) ALDH1A1POLBGRK2L3MBTL1APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230193478-A2 OLEYL PROPYLENEDIAMINE-BASED CORROSION INHIBITORS ECOLAB USA INC. 2023-06-22 US disclosed