SCHEMBL4369713

SCHEMBL4369713

O=C(C[C@@H]1C/C=C\CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCCCN1CCOCC1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SHH Q15465 8/20 0.64
MAPK1 P28482 1/20 0.42

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
SCHEMBL2192481 1.00 SHH (0.64) SHHMAPK1
SCHEMBL12507951 1.00 SHH (0.64) SHHMAPK1
SCHEMBL2192490 1.00 SHH (0.64) SHHMAPK1
SCHEMBL12418076 1.00 SHH (0.64) SHHMAPK1
SCHEMBL17497360 0.85 SHH (0.67) SHH
SCHEMBL17497363 0.85 SHH (0.67) SHH
SCHEMBL17515410 0.83 SHH (0.60) SHH
SCHEMBL17497585 0.83 SHH (0.68) SHH
SCHEMBL17497590 0.83 SHH (0.68) SHH
SCHEMBL17497507 0.82 SHH (0.60) SHH

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-2009132032-A2 SONIC HEDGEHOG MODULATORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-10-29 WO disclosed