SCHEMBL9025529

SCHEMBL9025529

OC1CO[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C1O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYMP P19971 14/20 0.40
KIF11 P52732 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SLC5A2 P31639 2/20 0.36
SLC5A1 P13866 1/20 0.36

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
SCHEMBL5930460 1.00 TYMP (0.40) TYMPKIF11MEN1KMT2ASLC5A2
SCHEMBL31138990 0.97 TYMP (0.42) TYMPKIF11MEN1KMT2ASLC5A2
SCHEMBL5930041 0.90 TYMP (0.46) TYMPKIF11MEN1KMT2ASLC5A2
SCHEMBL22879082 0.90 TYMP (0.46) TYMPKIF11MEN1KMT2ASLC5A2
SCHEMBL5930032 0.90 TYMP (0.46) TYMPKIF11MEN1KMT2ASLC5A2
SCHEMBL6650591 0.85 TYMP (0.39) TYMPKIF11MEN1KMT2A
SCHEMBL19297563 0.85 TYMP (0.39) TYMPKIF11MEN1KMT2A
SCHEMBL19297527 0.85 TYMP (0.39) TYMPKIF11MEN1KMT2A
SCHEMBL19297648 0.83 MEN1 (0.38) TYMPKIF11MEN1KMT2ASLC5A2
SCHEMBL19297661 0.83 MEN1 (0.38) TYMPKIF11MEN1KMT2ASLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0464769-B1 Purinyl and pyrimidinyl tetrahydrofurans SQUIBB & SONS INC (US) 1996-10-02 EP disclosed
US-5272152-A Purinyl and pyrimidinyl tetrahydrofurans E. R. SQUIBB & SONS, INC. (US) 1993-12-21 US disclosed
EP-0464769-A2 Purinyl and pyrimidinyl tetrahydrofurans E.R. SQUIBB & SONS, INC. (US) 1992-01-08 EP disclosed