SCHEMBL28294893

SCHEMBL28294893

Cc1ccc(C(=O)OCCC(C)C)c(C(=O)OCCC(C)C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CHRM2 P08172 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ACHE P22303 1/20 0.43
PTGS1 P23219 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRB2 P47870 1/20 0.41
CYP19A1 P11511 1/20 0.39
TSHR P16473 5/20 0.39
HTT P42858 2/20 0.36
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL301665 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EKMT2ATSHRHTT
SCHEMBL2177470 0.84 HSD17B10 (0.43) PKMMAPK1HSD17B10CHRM2ADORA3
SCHEMBL27565185 0.83 ALDH1A1 (0.56) MAPK1HSD17B10ADORA3ALDH1A1KDM4E
SCHEMBL21113716 0.82 TSHR (0.46) PKMMAPK1HSD17B10ALDH1A1KDM4E
SCHEMBL301812 0.80 TSHR (0.55) HSD17B10ALDH1A1KDM4EGAAKMT2A
SCHEMBL302696 0.80 TSHR (0.58) MAPK1HSD17B10ALDH1A1KDM4EKMT2A
Hydrochloric Acid SCHEMBL28219343 0.79 TSHR (0.53) HSD17B10ALDH1A1KDM4EGAAKMT2A
SCHEMBL28293073 0.78 GABRA1 (0.45) PKMMAPK1HSD17B10ALDH1A1KDM4E
SCHEMBL18577777 0.77 KMT2A (0.49) PKMMAPK1HSD17B10CHRM2ADORA3
SCHEMBL17965750 0.77 PKM (0.46) PKMMAPK1HSD17B10CHRM2ADORA3

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-109762117-A The synthetic method of polyether polyol 山东蓝星东大有限公司 2019-05-17 CN claimed
CN-109762117-A The synthetic method of polyether polyol 山东蓝星东大有限公司 2019-05-17 CN disclosed