SCHEMBL8006571

SCHEMBL8006571

CCN[C@H](C)c1ccc(O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 9/20 0.54
▸ KDM4E B2RXH2 9/20 0.54
▸ MAPT P10636 8/20 0.54
▸ ADRB2 P07550 6/20 0.54
▸ ADRB1 P08588 4/20 0.54
▸ MTOR P42345 4/20 0.54
▸ TSHR P16473 4/20 0.54
▸ HSD17B10 Q99714 4/20 0.54
▸ MAPK1 P28482 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ ADRB3 P13945 3/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ HIF1A Q16665 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ ADORA3 P0DMS8 2/20 0.54
▸ DRD2 P14416 2/20 0.54
▸ ADRA1D P25100 2/20 0.54

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
Dioxethedrin SCHEMBL249560 0.80 ADRB2 (0.58) TDP1KDM4EMAPTADRB2ADRB1
SCHEMBL21566671 0.80 MAPT (0.50) TDP1KDM4EMAPTADRB2ADRB1
Dioxethedrin SCHEMBL365011 0.79 KDM4E (0.57) TDP1KDM4EMAPTADRB2ADRB1
SCHEMBL28141655 0.78 ADRB2 (0.47) TDP1KDM4EMAPTADRB2ADRB1
Bromide SCHEMBL11805158 0.78 TDP1 (0.52) TDP1KDM4EMAPTADRB2ADRB1
SCHEMBL19604903 0.78 ESR1 (0.50) TDP1KDM4EMAPTADRB2ADRB1
SCHEMBL683547 0.74 HSD17B10 (0.69) TDP1KDM4EMAPTADRB2ADRB1
SCHEMBL10058634 0.73 L3MBTL1 (0.42) ADRB2ADRB1MAPK1KMT2AADRB3
SCHEMBL10058162 0.73 L3MBTL1 (0.42) ADRB2ADRB1MAPK1KMT2AADRB3
SCHEMBL12849015 0.73 ALDH1A1 (0.54) MAPK1KMT2AMEN1LMNAALDH1A1

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
WO-2009120799-A2 METHODS OF TREATING FIBROTIC DISORDERS PALOMA PHARMACEUTICALS, INC. (US) 2009-10-01 — — WO disclosed
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