SCHEMBL28034299

SCHEMBL28034299

CCCCOc1ccc2[nH]cc(OC(C)=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
SLC22A6 Q4U2R8 1/20 0.54
HTR1B P28222 10/20 0.52
HTR1D P28221 9/20 0.52
HTR1A P08908 9/20 0.52
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 2/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
HTR2A P28223 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MTNR1A P48039 3/20 0.47

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
SCHEMBL28034417 0.88 HTT (0.56) HTTHTR1BHTR1DHTR1AMAPT
SCHEMBL23629467 0.82 SLC22A6 (0.60) SLC22A6HTR1DHTR1AMAPTTDP1
SCHEMBL27898848 0.80 HTR1D (0.60) HTTSLC22A6HTR1BHTR1DHTR1A
SCHEMBL23269931 0.77 HTR1B (0.71) HTTHTR1BHTR1DHTR1AMAPT
SCHEMBL28758142 0.77 HTR1B (0.49) HTTHTR1BHTR1DHTR1AMAPT
SCHEMBL12721122 0.76 KDM4E (0.71) HTTHTR1BHTR1DHTR1AMAPT
SCHEMBL12721389 0.76 MAPT (0.71) HTTHTR1BHTR1DHTR1AMAPT
SCHEMBL6558468 0.76 KDM4E (0.45) HTTKDM4ETP53
SCHEMBL9117858 0.76 SLC22A6 (0.64) HTTSLC22A6HTR1DKDM4ETP53
SCHEMBL12247689 0.76 HTR1B (0.60) HTTHTR1BHTR1DHTR1AMAPT

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-104936591-B Hematopoietin expression facilitator 国立大学法人东北大学 2018-05-29 CN disclosed
CN-104936591-A Erythropoietin expression promoter UNIV TOHOKU NAT UNIV CORP 2015-09-23 CN disclosed