SCHEMBL30790776

SCHEMBL30790776

C#CCN(CC#C)C(=O)COCC(=O)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ LMNA P02545 2/20 0.32
▸ ACHE P22303 3/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30
▸ GPR55 Q9Y2T6 1/20 0.30

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 0.83 KMT2A (0.53) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL701404 0.83 KMT2A (0.53) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL28645343 0.77 KMT2A (0.48) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL29152720 0.76 KMT2A (0.47) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL6002977 0.74 KMT2A (0.48) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL599431 0.72 CNR2 (0.41) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL27351033 0.72 KMT2A (0.48) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL30773503 0.70 KMT2A (0.46) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL9761192 0.70 KMT2A (0.44) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL2091299 0.70 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117617964-A Degradable fibrous calcium ion sensor and preparation method thereof 复旦大学 2024-03-01 — — CN claimed
CN-117617964-A Degradable fibrous calcium ion sensor and preparation method thereof 复旦大学 2024-03-01 — — CN disclosed
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