SCHEMBL28055831

SCHEMBL28055831

CCCCCCCCCc1ccc(O)c(CN(C)CC(=O)O)c1.[KH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 3/20 0.56
PPARA Q07869 3/20 0.52
ALDH1A1 P00352 2/20 0.46
BCHE P06276 1/20 0.45
EP300 Q09472 1/20 0.44
KAT5 Q92993 1/20 0.44
STAT3 P40763 1/20 0.43
PPARG P37231 2/20 0.43
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
SHBG P04278 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL29634826 0.99 KAT8 (0.57) KAT8PPARAALDH1A1BCHEEP300
SCHEMBL30624 0.99 KAT8 (0.57) KAT8PPARAALDH1A1BCHEEP300
SCHEMBL2005845 0.97 KAT8 (0.56) KAT8PPARAALDH1A1BCHEEP300
SCHEMBL8596017 0.87 KAT8 (0.58) KAT8PPARAALDH1A1BCHEEP300
Potassium Ion SCHEMBL7928665 0.86 KAT8 (0.51) KAT8PPARAALDH1A1BCHEEP300
SCHEMBL30206997 0.86 KAT8 (0.51) KAT8PPARAALDH1A1BCHEEP300
Lithium Ion SCHEMBL7919579 0.86 KAT8 (0.51) KAT8PPARAALDH1A1BCHEEP300
SCHEMBL7928563 0.86 KAT8 (0.51) KAT8PPARAALDH1A1BCHEEP300
SCHEMBL536515 0.86 KAT8 (0.51) KAT8PPARAALDH1A1BCHEEP300
SCHEMBL7925730 0.86 KAT8 (0.51) KAT8PPARAALDH1A1BCHEEP300

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-105358599-B For manufacturing urethane-isocyanuric acid ester method 陶氏环球技术有限责任公司 2019-04-19 CN disclosed
CN-105358599-A Process for making urethane-isocyanurates DOW GLOBAL TECHNOLOGIES INC 2016-02-24 CN disclosed