SCHEMBL11059079

SCHEMBL11059079

O=c1c2ccc(OCCO)cc2oc2cc(OCCO)cc(O)c12

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 5/20 0.57
MAOA P21397 2/20 0.57
MAOB P27338 1/20 0.57
XDH P47989 2/20 0.51
POLB P06746 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL11049325 0.86 ALDH2 (0.60) ALDH2MAOAMAOBXDHCA12
SCHEMBL10705370 0.83 MAOA (0.51) MAOAPOLB
SCHEMBL5446334 0.83 PRKDC (0.51) ALDH2MAOAMAOBXDH
SCHEMBL11499560 0.81 ESR1 (0.51) ALDH2MAOAMAOBXDHCA12
SCHEMBL9017548 0.81 QPCT (0.61) ALDH2MAOAMAOBXDH
SCHEMBL27582322 0.78 CA12 (0.62) ALDH2MAOAMAOBCA12CA1
SCHEMBL28561297 0.76 MGAM (0.54) MAOA
SCHEMBL5446446 0.76 MAOA (0.69) MAOAMAOB
SCHEMBL30346436 0.76 MAOA (0.69) MAOAMAOB
SCHEMBL21823965 0.75 MEN1 (0.72) MAOAMAOBXDHPOLBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0076582-A1 New polyester compositions; shaped articles obtained from them and processes for preparing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-04-13 EP claimed
US-4456746-A ULTRAVIOLET STABLE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-06-26 US disclosed
EP-0076582-A1 New polyester compositions; shaped articles obtained from them and processes for preparing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-04-13 EP disclosed
US-4375421-A COSMETICS, CLEANING COMPOUNDS LEVER BROTHERS COMPANY (US) 1983-03-01 US disclosed