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Sugi Predict / Compounds / SCHEMBL11413095

SCHEMBL11413095

SCHEMBL11413095

COC(=O)CCCCCCCCCC(=O)O.COC(=O)CCCCCCCCCCOC(=O)/C=C(\C)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IARS1 P41252 5/20 0.91
▸ HTR2A P28223 1/20 0.91

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
SCHEMBL11060280 0.97 IARS1 (0.84) IARS1HTR2A
SCHEMBL19532799 0.97 IARS1 (0.84) IARS1HTR2A
Mupirocin SCHEMBL15307512 0.95 IARS1 (1.00) IARS1HTR2A
Mupirocin SCHEMBL18995884 0.95 IARS1 (1.00) IARS1HTR2A
Mupirocin SCHEMBL1027616 0.95 IARS1 (1.00) IARS1HTR2A
Mupirocin SCHEMBL2223711 0.95 IARS1 (1.00) IARS1HTR2A
Mupirocin SCHEMBL3291 0.95 IARS1 (1.00) IARS1HTR2A
Mupirocin SCHEMBL15387505 0.95 IARS1 (1.00) IARS1HTR2A
Mupirocin SCHEMBL18998277 0.95 IARS1 (1.00) IARS1HTR2A
Mupirocin SCHEMBL15387504 0.95 IARS1 (1.00) IARS1HTR2A

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
US-4237161-A BRONCHITIS AND VENERAL DISEASE BEECHAM GROUP LIMITED (GB) 1980-12-02 — — US disclosed