SCHEMBL28113310

SCHEMBL28113310

CCOC(OCC)(P=O)c1ccc(C(=O)O)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR1H4 Q96RI1 1/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
NEK2 P51955 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL28113312 0.88 TDP1 (0.44) ALDH1A1KDM4EHPGDHSD17B10NR1H4
SCHEMBL27487116 0.78 CFTR (0.41) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL10519686 0.78 ALDH1A1 (0.59) ALDH1A1PPARGPPARAKDM4EHPGD
SCHEMBL26033050 0.76 ALDH1A1 (0.53) ALDH1A1PPARGPPARAKDM4EHPGD
SCHEMBL4689119 0.75 MEN1 (0.46) ALDH1A1NR1H4TSHRMAPTMEN1
SCHEMBL106530 0.75 ALDH1A1 (0.59) ALDH1A1PPARGPPARAKDM4EHPGD
SCHEMBL27876225 0.73 KIF11 (0.45) NR1H4MEN1KMT2ARAB9A
SCHEMBL422034 0.73 ALDH1A1 (0.71) ALDH1A1PPARGPPARAKDM4EHPGD
SCHEMBL17908094 0.73 ALDH1A1 (0.57) ALDH1A1PPARGPPARAKDM4EHPGD
SCHEMBL18043813 0.73 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10TSHR

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
CN-110141570-A Medical compounds 西雅图遗传学公司 2019-08-20 CN disclosed
CN-110143950-A Medical compounds 西雅图遗传学公司 2019-08-20 CN disclosed
CN-106170288-B Pharmaceutical compounds 西雅图遗传学公司 2019-07-19 CN disclosed
CN-106170288-A Pharmaceutical compounds 卡斯卡迪安疗法公司 2016-11-30 CN disclosed