SCHEMBL28524488

SCHEMBL28524488

O=Cc1cccc(COC(OCc2cccc(C=O)c2)(OCc2cccc(C=O)c2)OCc2cccc(C=O)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.51
MAOB P27338 7/20 0.51
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
UNG P13051 1/20 0.39
SRC P12931 1/20 0.39
CYP2A6 P11509 1/20 0.37
CCNB2 O95067 2/20 0.36
CDK1 P06493 2/20 0.36
CDK4 P11802 2/20 0.36
CCNB1 P14635 2/20 0.36
CCND1 P24385 2/20 0.36
CCNB3 Q8WWL7 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL7935368 0.86 MAOA (0.51) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL1279762 0.79 MAOA (0.55) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL30800165 0.79 MAOA (0.55) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL31568503 0.78 MAOA (0.65) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL6522331 0.78 MAOA (0.65) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL7672328 0.76 MAOA (0.53) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL254407 0.76 MAOA (0.53) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL27578763 0.76 MAOA (0.50) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL28517106 0.76 RAB9A (0.46) MAOAMAOBRAB9AALDH1A1SMN1; SMN2
SCHEMBL6852425 0.76 ALDH1A1 (0.52) MAOAMAOBRAB9ANPC1TDP1

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-112210056-B Porous covalent organic framework material and synthesis method and application thereof 台州学院 2022-12-02 CN claimed
CN-112210056-A Porous covalent organic framework material and synthesis method and application thereof 台州学院 2021-01-12 CN claimed
CN-112210056-B Porous covalent organic framework material and synthesis method and application thereof 台州学院 2022-12-02 CN disclosed
CN-112210056-A Porous covalent organic framework material and synthesis method and application thereof 台州学院 2021-01-12 CN disclosed