SCHEMBL28088166

SCHEMBL28088166

CCONc1cc(NCCO)c(OC)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.40
POLB P06746 2/20 0.37
HTT P42858 2/20 0.36
GBA1 P04062 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMPD1 P17405 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
PDE5A O76074 1/20 0.33

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
SCHEMBL454595 0.87 TNF (0.44) TNFPOLBHTTGBA1KDM4E
SCHEMBL27940328 0.85 ALDH1A1 (0.38) HTTKDM4ETSHRALDH1A1MEN1
SCHEMBL2326696 0.77 BMPR1B (0.41) TNFPOLBHTTGBA1KDM4E
SCHEMBL3971880 0.72 HMGCR (0.44) TNFHTTGBA1KDM4EGLA
SCHEMBL5352795 0.72 POLB (0.40) TNFPOLBKDM4ETSHRL3MBTL1
SCHEMBL687380 0.71 TUBB4A (0.40) TNFPOLBHTTGBA1KDM4E
Hydrochloric Acid SCHEMBL9192756 0.70 TUBB4A (0.43) TNFHTTKDM4EGLATSHR
SCHEMBL5176527 0.69 KDM4E (0.41) TNFPOLBHTTKDM4EGLA
SCHEMBL11822323 0.69 MAPT (0.58) POLBHTTKDM4ETSHRL3MBTL1
SCHEMBL2434485 0.69 ALDH1A1 (0.57) GBA1KDM4ETSHRL3MBTL1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102858944-B Delivery of particles 宝洁公司 2016-08-24 CN disclosed