SCHEMBL16645716

SCHEMBL16645716

O=S1(=O)CCOCCOCC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.43
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
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
SCHEMBL256062 0.96
SCHEMBL2621587 0.84
SCHEMBL1558663 0.80 ALDH1A1 (0.42) ALDH1A1
SCHEMBL256779 0.76
SCHEMBL256063 0.76
Tetrahydrofuran SCHEMBL11376923 0.73 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2
SCHEMBL16477923 0.71
SCHEMBL9436789 0.71
SCHEMBL64228 0.71
SCHEMBL15033958 0.69

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-2015051766-A1 AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY (ADP-RIBOSE) POLYMERASE INHIBITORS BETTA PHARMACEUTICALS CO., LTD (CN) 2015-04-16 WO disclosed