SCHEMBL30773499

SCHEMBL30773499

COC(=O)CCCC(=O)NC(COCC(=O)N(C1CCCCC1)C1CCCCC1)COCC(=O)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.36
▸ EPHX2 P34913 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ PTPRC P08575 1/20 0.32

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
SCHEMBL30773500 0.83 KMT2A (0.33) TSHRKMT2AALDH1A1GAAMEN1
SCHEMBL31495993 0.77 THRB (0.34) TSHRKMT2AALDH1A1GAAMEN1
SCHEMBL31495981 0.75 CTSS (0.40) TSHRKMT2AALDH1A1GAAMEN1
SCHEMBL27351033 0.72 KMT2A (0.48) TSHRKMT2AALDH1A1LMNAMEN1
SCHEMBL2842929 0.70 KMT2A (0.53) TSHRKMT2AALDH1A1LMNANPSR1
SCHEMBL701404 0.70 KMT2A (0.53) TSHRKMT2AALDH1A1LMNANPSR1
SCHEMBL30773503 0.70 KMT2A (0.46) TSHRKMT2AALDH1A1LMNANPSR1
SCHEMBL6002977 0.68 KMT2A (0.48) TSHRKMT2AALDH1A1LMNANPSR1
SCHEMBL2091299 0.67 KMT2A (0.50) TSHRKMT2AALDH1A1LMNANPSR1
SCHEMBL2093629 0.66 KMT2A (0.49) TSHRKMT2AALDH1A1LMNANPSR1

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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