SCHEMBL18938432

SCHEMBL18938432

CCCCOC1C(OC2C(CC)CC(C(=O)OC)C[C@H]2O)OC(C)[C@@H](OCCCC)C1OCCCC

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 1/20 0.30
PPP5C P53041 1/20 0.30
HPSE Q9Y251 3/20 0.30
FGF1 P05230 2/20 0.30
FGF2 P09038 2/20 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
SCHEMBL18938431 1.00 GJB2 (0.30) GJB2PPP5CHPSEFGF1FGF2
SCHEMBL14823287 0.91 GJB2 (0.31) GJB2PPP5C
SCHEMBL12246441 0.91 GJB2 (0.31) GJB2PPP5C
SCHEMBL14823288 0.91 GJB2 (0.31) GJB2PPP5C
SCHEMBL17777232 0.87
SCHEMBL19491796 0.87
SCHEMBL17777234 0.87
SCHEMBL17151668 0.87
SCHEMBL13896491 0.84
SCHEMBL22050897 0.83 PTPN1 (0.37) GJB2HPSEFGF1FGF2

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-2017095904-A1 HETEROBIFUNCTIONAL PAN-SELECTIN ANTAGONISTS HAVING A TRIAZOLE LINKER GLYCOMIMETICS, INC. (US) 2017-06-08 WO disclosed