SCHEMBL7322722

SCHEMBL7322722

COCCCCCCCCOc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(C(=O)OC)cc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
RAB9A P51151 1/20 0.56
RARB P10826 3/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 2/20 0.48
HSP90AA1 P07900 1/20 0.48
HTT P42858 1/20 0.48
HDAC3 O15379 3/20 0.48
HDAC4 P56524 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC11 Q96DB2 3/20 0.48

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
SCHEMBL7336081 0.96 MAPT (0.68) MAPTRAB9AKMT2AALDH1A1GAA
SCHEMBL7325780 0.96 MAPT (0.68) MAPTRAB9AKMT2AALDH1A1GAA
SCHEMBL7324912 0.96 MAPT (0.68) MAPTRAB9AKMT2AALDH1A1GAA
SCHEMBL14926518 0.94 MAPT (0.70) MAPTRAB9ARARBGAAL3MBTL1
SCHEMBL7321276 0.93 MAPT (0.72) MAPTRAB9ARARBKMT2AALDH1A1
SCHEMBL7317829 0.92 RARB (0.64) MAPTRAB9ARARBKMT2ALMNA
SCHEMBL7325818 0.92 RARB (0.64) MAPTRAB9ARARBKMT2ALMNA
SCHEMBL7316188 0.90 RARB (0.62) MAPTRAB9ARARBKMT2AGAA
SCHEMBL7316966 0.90 MAPT (0.71) MAPTRAB9ARARBKMT2AALDH1A1
SCHEMBL7322270 0.90 MAPT (0.64) MAPTRAB9ARARBKMT2AALDH1A1

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
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed