SCHEMBL28151038

SCHEMBL28151038

O=C(Nc1ccc(N2CCN(C(=O)O)CC2)cc1)Oc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.78
▸ MAPT P10636 4/20 0.78
▸ GAA P10253 3/20 0.78
▸ KDM4E B2RXH2 3/20 0.78
▸ KMT2A Q03164 3/20 0.78
▸ USP2 O75604 1/20 0.78
▸ NPSR1 Q6W5P4 1/20 0.76
▸ ALOX15 P16050 1/20 0.54
▸ RAD51 Q06609 1/20 0.54
▸ KDR P35968 2/20 0.52
▸ LCK P06239 1/20 0.52
▸ HCK P08631 1/20 0.52
▸ SRC P12931 1/20 0.52
▸ CA12 O43570 2/20 0.52
▸ CA1 P00915 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ CA9 Q16790 2/20 0.52
▸ ME2 P23368 1/20 0.52
▸ ME1 P48163 1/20 0.52
▸ ME3 Q16798 1/20 0.52

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
SCHEMBL20013063 0.92 MAPT (0.86) ALDH1A1MAPTGAAKDM4EKMT2A
SCHEMBL3898025 0.88 GAA (1.00) ALDH1A1MAPTGAAKDM4EKMT2A
SCHEMBL12240583 0.86 GAA (0.81) ALDH1A1MAPTGAAKDM4EKMT2A
SCHEMBL3835741 0.86 GAA (1.00) ALDH1A1MAPTGAAKDM4EKMT2A
SCHEMBL20644396 0.86 KMT2A (0.78) ALDH1A1MAPTGAAKDM4EKMT2A
Hydrochloric Acid SCHEMBL23040411 0.86 MAPT (0.78) ALDH1A1MAPTGAAKDM4EKMT2A
SCHEMBL3965662 0.85 GAA (0.79) ALDH1A1MAPTGAAKDM4EKMT2A
SCHEMBL2543995 0.85 GAA (0.79) ALDH1A1MAPTGAAKDM4EKMT2A
SCHEMBL7885204 0.85 GAA (0.70) ALDH1A1MAPTGAAKDM4EKMT2A
SCHEMBL6942730 0.84 GAA (0.69) ALDH1A1MAPTGAAKDM4EKMT2A

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
CN-106742373-B A kind of automatic charging packaging facilities and its working method based on the exploitation of functional gingko milk beverage 徐州工程学院 2019-03-15 — — CN claimed
CN-106742373-A A kind of automatic charging packaging facilities and its method of work based on the exploitation of feature gingko milk beverage 徐州工程学院 2017-05-31 — — CN claimed
CN-106742373-B A kind of automatic charging packaging facilities and its working method based on the exploitation of functional gingko milk beverage 徐州工程学院 2019-03-15 — — CN disclosed
CN-106742373-A A kind of automatic charging packaging facilities and its method of work based on the exploitation of feature gingko milk beverage 徐州工程学院 2017-05-31 — — CN disclosed
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