SCHEMBL9543842

SCHEMBL9543842

C=CC(O[C]=O)C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL5428033 0.80 TSHR (0.33)
SCHEMBL3868791 0.79
SCHEMBL7611022 0.79
SCHEMBL616487 0.78
SCHEMBL11131850 0.78 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2A
SCHEMBL9718037 0.77 HPGD (0.35)
SCHEMBL9382388 0.76
SCHEMBL7440829 0.73
SCHEMBL7591554 0.72 ALDH1A1 (0.38) SMN1; SMN2MEN1KMT2A
SCHEMBL7178426 0.72

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-1993014100-A1 AMPHOTERICIN B DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 1993-07-22 WO claimed