SCHEMBL28645343

SCHEMBL28645343

O=C(O)COCC(=O)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ TSHR P16473 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PHGDH O43175 1/20 0.34

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
SCHEMBL2842929 0.92 KMT2A (0.53) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL701404 0.92 KMT2A (0.53) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL29152720 0.84 KMT2A (0.47) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL6002977 0.81 KMT2A (0.48) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL27351033 0.80 KMT2A (0.48) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL9761192 0.77 KMT2A (0.44) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL30773503 0.77 KMT2A (0.46) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL30790776 0.77 KMT2A (0.42) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL2091299 0.77 KMT2A (0.50) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL2091294 0.77 KMT2A (0.50) KMT2AMEN1ALDH1A1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113514526-A Reversible Ca2+Recognition ligand METH and preparation method and application thereof 华东师范大学 2021-10-19 — — CN disclosed
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