SCHEMBL28154673

SCHEMBL28154673

CC(=O)CC(C)(C)NC(=O)CCN

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
PAOX Q6QHF9 2/20 0.34
APAF1 O14727 1/20 0.31
POLB P06746 1/20 0.31
GRK2 P25098 1/20 0.31
DNMT1 P26358 1/20 0.31
PTPN7 P35236 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
PPP1CA P62136 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL12335916 0.79 ALDH1A1 (0.48) ALDH1A1POLBGRK2L3MBTL1
SCHEMBL2835151 0.79 ALDH1A1 (0.44) ALDH1A1APAF1POLBGRK2DNMT1
SCHEMBL11813820 0.77 ALDH1A1 (0.39) ALDH1A1
SCHEMBL21158613 0.77 SMN1; SMN2 (0.39) ALDH1A1L3MBTL1
SCHEMBL19019335 0.77 ALDH1A1 (0.41) ALDH1A1L3MBTL1
SCHEMBL1302691 0.76 SMN1; SMN2 (0.44) ALDH1A1POLBRECQL
SCHEMBL16985021 0.76 ALDH1A1 (0.41) ALDH1A1APAF1POLBGRK2DNMT1
SCHEMBL12308384 0.74 ALDH1A1 (0.40) ALDH1A1APAF1POLBGRK2DNMT1
SCHEMBL25910446 0.74 ALDH1A1 (0.37) ALDH1A1PAOXAPAF1POLBGRK2
SCHEMBL13328580 0.73 EPHX1 (0.34) ALDH1A1

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
CN-106947377-A A kind of aqueous woodware paint repaiies coloured light oil and its preparation method and application 广州冠志新材料科技有限公司 2017-07-14 CN claimed
CN-106947377-A A kind of aqueous woodware paint repaiies coloured light oil and its preparation method and application 广州冠志新材料科技有限公司 2017-07-14 CN disclosed