SCHEMBL14770775

SCHEMBL14770775

O=C(O)c1cc(OCc2ccc(CO)cc2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.62
MAOB P27338 6/20 0.58
MAOA P21397 5/20 0.58
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KLKB1 P03952 1/20 0.51
CTSB P07858 1/20 0.51
MMP9 P14780 1/20 0.51
DNMT1 P26358 1/20 0.51
DNMT3B Q9UBC3 1/20 0.51
DNMT3L Q9UJW3 1/20 0.51
DNMT3A Q9Y6K1 1/20 0.51
ACMSD Q8TDX5 1/20 0.49
LCK P06239 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ALOX5 P09917 1/20 0.47
PTGS2 P35354 1/20 0.47
CA7 P43166 1/20 0.47

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
SCHEMBL343794 0.88 MCL1 (0.78) MCL1MAOBMAOASMN1; SMN2PTGS2
SCHEMBL27771284 0.87 MAOB (0.66) MCL1MAOBMAOASMN1; SMN2KLKB1
SCHEMBL25894138 0.87 RXRA (0.61) MCL1MAOBMAOAKLKB1CTSB
SCHEMBL13973969 0.87 MCL1 (0.60) MCL1MAOBMAOASMN1; SMN2KLKB1
SCHEMBL14774262 0.87 RAB9A (0.61) MCL1MAOBMAOASMN1; SMN2KLKB1
SCHEMBL16704452 0.87 MAOB (0.60) MCL1MAOBMAOAKLKB1CTSB
SCHEMBL13977571 0.87 RXRA (0.61) MCL1MAOBMAOASMN1; SMN2KLKB1
SCHEMBL3299304 0.85 MCL1 (0.59) MCL1MAOBMAOATSHRSMN1; SMN2
SCHEMBL13965427 0.84 KAT8 (0.49) MCL1MAOBMAOAKLKB1CTSB
SCHEMBL13968250 0.83 MCL1 (0.56) MCL1MAOBMAOAKLKB1CTSB

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-20130065174-A1 TONER CANON KABUSHIKI KAISHA (JP) 2013-03-14 US disclosed