SCHEMBL31495993

SCHEMBL31495993

C=C(C)C(=O)OCCOC(=O)CCC(=O)NC(COCC(=O)N(C1CCCCC1)C1CCCCC1)COCC(=O)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.34
▸ TSHR P16473 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ CCKBR P32239 1/20 0.31
▸ EPHX1 P07099 1/20 0.30
▸ 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 0.77 TSHR (0.36) TSHRALDH1A1POLBMAPK1KMT2A
SCHEMBL17320253 0.71 MEN1 (0.42) THRBTSHRALDH1A1KMT2AMEN1
SCHEMBL31495981 0.69 CTSS (0.40) TSHRALDH1A1POLBMAPK1KMT2A
SCHEMBL30773500 0.69 KMT2A (0.33) TSHRALDH1A1POLBMAPK1KMT2A
SCHEMBL13475729 0.67 NAAA (0.48) THRBTSHRALDH1A1POLBEPHX1
SCHEMBL27351033 0.66 KMT2A (0.48) TSHRALDH1A1POLBMAPK1KMT2A
SCHEMBL14396498 0.66 ALDH1A1 (0.46) THRBTSHRALDH1A1KMT2AMEN1
SCHEMBL13762975 0.66 ALDH1A1 (0.46) THRBTSHRALDH1A1KMT2AMEN1
SCHEMBL16744077 0.66 THRB (0.61) THRBTSHRALDH1A1POLBGAA
SCHEMBL124287 0.66 THRB (0.61) THRBTSHRALDH1A1POLBGAA

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-2025034474-A1 3D PRINTED POROUS SUPRAMOLECULAR SORBENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-02-13 — — WO disclosed
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