SCHEMBL3935771

SCHEMBL3935771

CC(C)COC(=O)c1ccc(C#CCCO)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.47
ADRB1 P08588 8/20 0.47
ADRB3 P13945 8/20 0.47
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.42
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9672399 0.84 CA1 (0.53) ALDH1A1TSHRMAPTNPC1HTT
SCHEMBL3458276 0.80 PTPN11 (0.51) ALDH1A1TSHRMAPTPTPN11RAB9A
SCHEMBL110051 0.79 ALDH1A1 (0.64) ADRB2ADRB1ADRB3PLA2G1BATG4B
SCHEMBL27668055 0.78 ALDH1A1 (0.62) ADRB2ADRB1ADRB3PLA2G1BATG4B
SCHEMBL27668352 0.78 ALDH1A1 (0.62) ADRB2ADRB1ADRB3PLA2G1BATG4B
SCHEMBL27667934 0.78 ALDH1A1 (0.62) ADRB2ADRB1ADRB3PLA2G1BATG4B
SCHEMBL1561253 0.77 GABRA1 (0.47) ALDH1A1PTPN2PTPN1PTPN6PTPN11
SCHEMBL2896389 0.75 ACACB (0.45) ALDH1A1MAPTRAB9A
SCHEMBL27929357 0.73 KMT2A (0.60) ADRB2ADRB1ADRB3PLA2G1BATG4B
SCHEMBL5167985 0.73 CA12 (0.63) ADRB2ADRB1ADRB3PLA2G1BATG4B

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
EP-2046787-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS Glaxo Group Limited (GB) 2009-04-15 EP disclosed
WO-2008015416-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-02-07 WO disclosed