SCHEMBL10408396

SCHEMBL10408396

O[C@H]1[C@H](O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMP P19971 15/20 0.52
KIF11 P52732 1/20 0.43
ADORA1 P30542 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5443832 1.00 TYMP (0.52) TYMPKIF11ADORA1MEN1KMT2A
SCHEMBL5438423 1.00 TYMP (0.52) TYMPKIF11ADORA1MEN1KMT2A
SCHEMBL20154817 0.94 TYMP (0.48) TYMP
SCHEMBL23113802 0.92 TYMP (0.49) TYMPKIF11ADORA1
SCHEMBL3194078 0.92 TYMP (0.49) TYMPKIF11ADORA1
SCHEMBL3194070 0.92 TYMP (0.49) TYMPKIF11ADORA1
SCHEMBL15536591 0.90 TYMP (0.48) TYMPKIF11
SCHEMBL22033901 0.90 TYMP (0.48) TYMPKIF11
SCHEMBL8158741 0.90 TYMP (0.48) TYMPKIF11
SCHEMBL8158736 0.90 TYMP (0.48) TYMPKIF11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4968790-A HYPOGLYCEMIC AGENTS, PLANT GROWTH REGULATORS AMERICAN CYANAMID COMPANY (US) 1990-11-06 US disclosed
EP-0354323-A2 Antidiabetic phosphates AMERICAN CYANAMID COMPANY (US) 1990-02-14 EP disclosed