SCHEMBL28225239

SCHEMBL28225239

C=Cc1ccc(O)cc1C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ESR1 P03372 4/20 0.40
ESR2 Q92731 4/20 0.40
HSP90AB1 P08238 1/20 0.40
POLB P06746 1/20 0.37
NUDT1 P36639 1/20 0.36
BACE1 P56817 1/20 0.36
ESRRB O95718 1/20 0.36
ESRRA P11474 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL28225962 0.91 ESR2 (0.39) MAPTALDH1A1ESR1ESR2ESRRB
SCHEMBL29036666 0.83 MAPT (0.44) MAPTALDH1A1ESR1ESR2HSP90AB1
SCHEMBL4069378 0.81 BACE1 (0.45) MAPTESR2BACE1HSP90AA1KMT2A
SCHEMBL20211626 0.81 HDAC3 (0.38) ALDH1A1NUDT1BACE1HSP90AA1NPC1
SCHEMBL7469701 0.81 MAPT (0.41) MAPTALDH1A1ESR1ESR2HSP90AB1
SCHEMBL21116526 0.79 ESR2 (0.39) MAPTALDH1A1ESR1ESR2HSP90AB1
SCHEMBL17699117 0.77 CHRNB2 (0.55) MAPTALDH1A1ESR1ESR2HSP90AB1
SCHEMBL23584310 0.77 PTGDR2 (0.42) CHRNB2CHRNA4KMT2APTGDR2
SCHEMBL69755 0.76 NUDT1 (0.57) MAPTALDH1A1ESR1ESR2HSP90AB1
SCHEMBL10438722 0.76 DYRK1A (0.54) MAPTALDH1A1ESR1ESR2HSP90AB1

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-108255018-A Include photoetching compositions poly(4-hydroxystyrene) based epoxy resin as film-forming resin 湖北固润科技股份有限公司 2018-07-06 CN disclosed