SCHEMBL19982455

SCHEMBL19982455

CCOC(=O)C1=CC2(CCC1[SH](C)(=O)Cc1cccc(C)c1)OC(/C=C/O)[C@H](CO)O2

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.30
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
SCHEMBL20111185 0.72 POLB (0.36) HPGDSMN1; SMN2
SCHEMBL20111175 0.72 POLB (0.36) HPGDSMN1; SMN2
SCHEMBL19982604 0.72 HPGD (0.33) HPGDSMN1; SMN2
SCHEMBL18716811 0.66 KDM4E (0.31) SMN1; SMN2
SCHEMBL20118879 0.66 KDM4E (0.31) SMN1; SMN2
SCHEMBL20118877 0.66 KDM4E (0.31) SMN1; SMN2
SCHEMBL18607179 0.66 KDM4E (0.31) SMN1; SMN2
SCHEMBL20111191 0.65 KMT2A (0.37) HPGDSMN1; SMN2
SCHEMBL20111171 0.65 KMT2A (0.37) HPGDSMN1; SMN2
SCHEMBL20111184 0.65 KMT2A (0.37) HPGDSMN1; 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
EP-3296296-A1 CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-03-21 EP disclosed