SCHEMBL6346108

SCHEMBL6346108

Oc1ccc2c(C3CCCC3)cccc2c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NUDT1 P36639 1/20 0.37
BACE1 P56817 1/20 0.37
HSP90AA1 P07900 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
IDO1 P14902 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6348968 0.98 NUDT1 (0.40) PTPN22HDAC4HDAC2HDAC8MEN1
SCHEMBL11007946 0.83 IDO1 (0.52) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL11002147 0.81 IDO1 (0.53) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL13004751 0.81 ESR1 (0.47) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL1866340 0.79 HDAC4 (0.47) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL1053897 0.77 HDAC4 (0.46) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL4960831 0.76 PTPN5 (0.44) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL10607806 0.75 NUDT1 (0.46) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL28835351 0.75 IDO1 (0.56) MEN1KMT2AMAPTIDO1CYP1A2
SCHEMBL13004839 0.75 IDO1 (0.56) MEN1KMT2AMAPTIDO1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878659-B2 Solid catalyst component for olefin polymerization and catalyst TOHO TITANIUM CO., LTD. (JP) 2005-04-12 US disclosed
US-20040072681-A1 Solid catalyst component for olefin polymerization and catalyst TOHO TITANIUM CO., LTD. (JP) 2004-04-15 US disclosed
EP-1260524-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST Toho Titanium Co., Ltd. (JP) 2002-11-27 EP disclosed