SCHEMBL8626568

SCHEMBL8626568

CCOC[C@H]1O[C@@H](S)[C@H](OCCC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H](O)[C@H]1O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SELP P16109 1/20 0.32

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
SCHEMBL8627709 0.93 SELP (0.34) SELP
SCHEMBL8626561 0.72 LGALS3 (0.32) SELP
SCHEMBL8770316 0.69 ALDH1A1 (0.41)
SCHEMBL8770290 0.67 ALDH1A1 (0.38)
SCHEMBL8627705 0.65 MAPK1 (0.35) SELP
SCHEMBL8626765 0.65 GJB2 (0.44)
SCHEMBL7529325 0.62 LGALS3 (0.39)
SCHEMBL7149879 0.61 LGALS3 (0.38)
SCHEMBL6382662 0.61 LGALS3 (0.38)
SCHEMBL7640836 0.61 LGALS3 (0.38)

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
US-5747463-A SELECTIN ANTAGONISTS; ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-05 US disclosed