SCHEMBL669096

SCHEMBL669096

COc1cc(CC(=O)CO)cc(OC)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.51
PKM P14618 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
LMNA P02545 1/20 0.48
TNKS2 Q9H2K2 2/20 0.46
MET P08581 2/20 0.45
GAA P10253 3/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL28708164 0.90 ALOX5 (0.56) ALOX5PKMCA12CA1CA2
SCHEMBL2913406 0.81 LMNA (0.57) ALOX5PKMCA12CA1CA2
SCHEMBL1278855 0.81 GAA (0.66) ALOX5PKMCA12CA1CA2
SCHEMBL11115600 0.81 TSHR (0.71) ALOX5LMNAGAAALDH1A1TSHR
SCHEMBL21154904 0.80 LMNA (0.58) CA2CA5ALMNAGAAALDH1A1
SCHEMBL3456779 0.79 HSP90AB1 (0.63) ALOX5PKMCA12CA1CA2
SCHEMBL6462475 0.79 ALOX5 (0.51) ALOX5PKMCA12CA1CA2
SCHEMBL26617184 0.79 TRPV1 (0.52) ALOX5PKMCA12CA1CA2
SCHEMBL30251783 0.78 ALOX5 (0.54) ALOX5PKMCA12CA1CA2
SCHEMBL1067240 0.76 TNKS2 (0.55) ALOX5PKMCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4063560-B1 MULTI-STEP PROCESS FOR THE ISOLATION OF COMPONENTS FROM MISCANTHUS EXEGI IP MAN B V (NL) 2024-02-07 EP disclosed
US-11814790-B2 Multi-step process for the isolation of components from Miscanthus EXEGI IP MANAGEMENT B.V. (NL) 2023-11-14 US disclosed
EP-4063560-A1 MULTI-STEP PROCESS FOR THE ISOLATION OF COMPONENTS FROM MISCANTHUS Exegi IP Management B.V. (NL) 2022-09-28 EP disclosed
EP-3724394-B1 MULTI-STEP PROCESS FOR THE ISOLATION OF COMPONENTS FROM MISCANTHUS EXEGI IP MAN B V (NL) 2022-03-16 EP disclosed
US-20210095421-A1 MULTI-STEP PROCESS FOR THE ISOLATION OF COMPONENTS FROM MISCANTHUS EXEGI IP MANAGEMENT B.V. (NL) 2021-04-01 US disclosed
EP-3724394-A1 MULTI-STEP PROCESS FOR THE ISOLATION OF COMPONENTS FROMMISCANTHUS Exegi IP Management B.V. (NL) 2020-10-21 EP disclosed
WO-2019117724-A1 MULTI-STEP PROCESS FOR THE ISOLATION OF COMPONENTS FROM MISCANTHUS MISCANCELL B.V. (NL) 2019-06-20 WO disclosed
CN-101351555-A A new selection system for wheat BASF PLANT SCIENCE GMBH (DE) 2009-01-21 CN disclosed