SCHEMBL9751536

SCHEMBL9751536

C[Si](C)(C)CCO[C@H]1O[C@H](C(O)C(=O)c2ccccc2)[C@@](O)([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@](O)(C(=O)c2ccccc2)[C@]1(O)C(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.33
MAG P20916 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL6048083 0.88 ALDH1A1 (0.35) MAOBALDH1A1
SCHEMBL9751489 0.86
SCHEMBL9751520 0.75 POLB (0.30)
SCHEMBL9751516 0.74
SCHEMBL379830 0.67 CES2 (0.32)
SCHEMBL27844267 0.67 CES2 (0.32)
SCHEMBL16621412 0.66
SCHEMBL7638594 0.65 HIF1A (0.37) ALDH1A1
SCHEMBL3984769 0.63 ALDH1A1 (0.36) ALDH1A1
SCHEMBL8982590 0.63 ALDH1A1 (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428605-A1 SYNTHETIC RECEPTOR ANALOGUES. SYMBICOM AB (SE) 1991-05-29 EP disclosed
WO-1990001488-A1 SYNTHETIC RECEPTOR ANALOGUES SYMBICOM AKTIEBOLAG (SE) 1990-02-22 WO disclosed