SCHEMBL21583773

SCHEMBL21583773

CSOCCNCCOC(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL17032500 0.83
SCHEMBL1967441 0.83 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL25101934 0.77
SCHEMBL9288942 0.75 HTR1B (0.34) ALDH1A1SMN1; SMN2
SCHEMBL24914369 0.75 L3MBTL1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL26327416 0.74
SCHEMBL13572982 0.73 CA12 (0.48) ALDH1A1SMN1; SMN2
SCHEMBL24865990 0.73 HTR1B (0.33) ALDH1A1SMN1; SMN2
SCHEMBL22702567 0.73 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL14200596 0.73 TSHR (0.38) ALDH1A1SMN1; SMN2

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-2019228299-A1 SYNTHESIS AND USES OF PEPTIDE BORATE ESTER COMPOUND 江苏正大丰海制药有限公司 (CN) 2019-12-05 WO disclosed