SCHEMBL28404789

SCHEMBL28404789

O=C1C(=CC=Cc2ccccc2)C(=O)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 1/20 0.63
▸ MAPT P10636 12/20 0.60
▸ APP P05067 5/20 0.60
▸ SNCA P37840 5/20 0.60
▸ METAP1 P53582 2/20 0.58
▸ MAPK1 P28482 8/20 0.55
▸ POLB P06746 4/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ RECQL P46063 2/20 0.55
▸ ALDH1A1 P00352 7/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ LMNA P02545 4/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ PKM P14618 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ NTSR1 P30989 1/20 0.51
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL13104436 1.00 CMA1 (0.63) CMA1MAPTAPPSNCAMETAP1
Dimethylamine SCHEMBL5741201 0.93 CMA1 (0.56) CMA1MAPTAPPSNCAMETAP1
SCHEMBL8064186 0.90 CMA1 (0.61) CMA1MAPTAPPSNCAMETAP1
SCHEMBL17762754 0.83 MAPT (0.63) CMA1MAPTAPPSNCAMETAP1
SCHEMBL1454822 0.81 APP (0.69) MAPTAPPSNCAMETAP1MAPK1
SCHEMBL12386751 0.81 APP (0.69) MAPTAPPSNCAMETAP1MAPK1
Anthraquinone SCHEMBL28334682 0.78 MEN1 (0.63) MAPTMAPK1POLBRAB9ANPC1
SCHEMBL31022832 0.77 MAPT (0.57) MAPTAPPSNCAMETAP1MAPK1
SCHEMBL16160384 0.77 MAPT (0.74) CMA1MAPTAPPSNCAMETAP1
SCHEMBL3762229 0.75 MAPT (1.00) CMA1MAPTAPPSNCAMETAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233884-B Method for synthesizing gamma-butyrolactone containing spiro 1, 3-indandione structure by using microchannel reaction device 南京工业大学 2021-01-26 — — CN disclosed
CN-111233884-A Method for synthesizing gamma-butyrolactone containing spiro 1, 3-indandione structure by using microchannel reaction device 南京工业大学 2020-06-05 — — CN disclosed
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