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SCHEMBL30773500

SCHEMBL30773500

O=C(CCCC(=O)ON1C(=O)CCC1=O)NC(COCC(=O)N(C1CCCCC1)C1CCCCC1)COCC(=O)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ GAA P10253 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
SCHEMBL30773499 0.83 TSHR (0.36) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL15724551 0.72 KMT2A (0.42) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL29335333 0.69 SMN1; SMN2 (0.41) KMT2AMEN1ALDH1A1POLB
SCHEMBL31495993 0.69 THRB (0.34) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL15184303 0.68 SMN1; SMN2 (0.55) KMT2AMEN1ALDH1A1MAPK1GAA
SCHEMBL16092090 0.68 SMN1; SMN2 (0.55) KMT2AMEN1ALDH1A1MAPK1GAA
SCHEMBL20033531 0.68 SMN1; SMN2 (0.55) KMT2AMEN1ALDH1A1MAPK1GAA
SCHEMBL25140397 0.68 SMN1; SMN2 (0.33) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL34383 0.67 SMN1; SMN2 (0.36) KMT2ATSHR
SCHEMBL22777675 0.67 SMN1; SMN2 (0.36) KMT2ATSHR

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
WO-2024064428-A2 FUNCTIONALIZED RESINS FOR LITHIUM CAPTURE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-03-28 — — WO disclosed
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