SCHEMBL7902263

SCHEMBL7902263

CO[C@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](O)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ LGALS3 P17931 2/20 0.37
▸ LGALS9 O00182 1/20 0.37
▸ LGALS1 P09382 1/20 0.37
▸ LGALS7; LGALS7B P47929 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ABCB1 P08183 4/20 0.36
▸ TSHR P16473 2/20 0.36
▸ BCHE P06276 1/20 0.36
▸ LGALS4 P56470 1/20 0.36

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
SCHEMBL14440928 0.89 ALDH1A1 (0.43) L3MBTL1KMT2AMEN1ALDH1A1GAA
SCHEMBL14428933 0.89 ALDH1A1 (0.43) L3MBTL1KMT2AMEN1ALDH1A1GAA
SCHEMBL14568965 0.89 ALDH1A1 (0.43) L3MBTL1KMT2AMEN1ALDH1A1GAA
SCHEMBL14440540 0.89 ALDH1A1 (0.43) L3MBTL1KMT2AMEN1ALDH1A1GAA
SCHEMBL7902115 0.83 TSHR (0.34) L3MBTL1KMT2AMEN1ALDH1A1GAA
SCHEMBL17773534 0.83 PTGES2 (0.41) ALDH1A1GAAABCB1TSHRBCHE
SCHEMBL7932128 0.81 ALDH1A1 (0.38) L3MBTL1KMT2AALDH1A1GAAABCB1
SCHEMBL4945560 0.79 KMT2A (0.68) L3MBTL1KMT2AMEN1ALDH1A1LGALS3
SCHEMBL7152880 0.79 KMT2A (0.68) L3MBTL1KMT2AMEN1ALDH1A1LGALS3
SCHEMBL19186152 0.79 KMT2A (0.68) L3MBTL1KMT2AMEN1ALDH1A1LGALS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197963-B1 TETRAHYDROPYRAN DERIVATIVES; PROTEIN G, SOMATOSTATIN, AND NATURAL KILLER CELL RECEPTOR ANTAGONISTS OR MIMETICS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2001-03-06 — — US disclosed
US-5811512-A BINDING TO G-PROTEIN-LINKED RECEPTORS, SUBSTANCE P RECEPTOR; HORMONE INHIBITORS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-09-22 — — US disclosed
WO-1993017032-A1 TECHNIQUES AND INTERMEDIATES FOR PREPARING NON-PEPTIDE PEPTIDOMIMETICS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1993-09-02 — — WO disclosed
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