SCHEMBL29081006

SCHEMBL29081006

COc1ccccc1OC(=O)CCCC=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ POLB P06746 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TOP2A P11388 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41

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
SCHEMBL28936425 0.87 KMT2A (0.56) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL5701570 0.87 KMT2A (0.56) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL27837171 0.84 TDP1 (0.48) KMT2AMEN1L3MBTL1KDM4ERECQL
SCHEMBL9670150 0.84 MEN1 (0.50) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL3361882 0.83 KMT2A (0.59) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL4648286 0.82 KMT2A (0.52) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL4085609 0.82 MEN1 (0.67) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL27301855 0.81 KMT2A (0.43) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL27487420 0.81 KMT2A (0.43) KMT2AMEN1ALDH1A1KDM4ERECQL
SCHEMBL27632196 0.81 ALDH1A1 (0.50) KMT2AMAPTMEN1ALDH1A1KDM4E

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-114621182-B Derivatization reagent, synthesis method thereof and MALDI-MS-based method for in-situ analysis of monoamine neurotransmitters 中国科学院深圳先进技术研究院 2023-10-03 — — CN claimed
CN-114621182-B Derivatization reagent, synthesis method thereof and MALDI-MS-based method for in-situ analysis of monoamine neurotransmitters 中国科学院深圳先进技术研究院 2023-10-03 — — CN disclosed
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