SCHEMBL9258943

SCHEMBL9258943

CCOC(=O)C1=COc2cc(C(C)(C)C)c(OC(C)=O)cc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TSHR P16473 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
SCHEMBL9259734 1.00 KDM4E (0.36) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL9254765 0.83 SMN1; SMN2 (0.38) KDM4EALDH1A1HPGDNPSR1HTT
SCHEMBL9258671 0.83 SMN1; SMN2 (0.38) KDM4EALDH1A1HPGDNPSR1HTT
SCHEMBL9257011 0.79 KDM4E (0.47) KDM4ENPC1ALDH1A1HPGDNPSR1
SCHEMBL8580456 0.72 ALDH1A1 (0.41) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL9251348 0.71 CA12 (0.49) HSD17B10ALDH1A1HPGDNPSR1HTT
SCHEMBL5337504 0.71 PTGS2 (0.47) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL8580296 0.70 MAOB (0.49) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL9263059 0.69 CYP4F2 (0.42) NPC1ALDH1A1NPSR1SMN1; SMN2MEN1
SCHEMBL8580159 0.69 MAPT (0.39) KDM4ENPC1RAB9AHSD17B10ALDH1A1

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
US-5439909-A 2-Substituted with amide or thioamide group; antioxidant for lipoproteins, antilipemic agents, anticholesterol agents ADIR ET COMPAGNIE (FR) 1995-08-08 US disclosed
US-5420132-A Antilipemic agents ADIR ET COMPAGNIE (FR) 1995-05-30 US disclosed