SCHEMBL9705056

SCHEMBL9705056

O=C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@]1(O)C=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC28A1 O00337 1/20 0.47
SLC28A2 O43868 1/20 0.47
SLC29A1 Q99808 1/20 0.47
SLC28A3 Q9HAS3 1/20 0.47
P2RY2 P41231 10/20 0.39
P2RY4 P51582 4/20 0.39
POLA1 P09884 1/20 0.37
P2RY14 Q15391 3/20 0.36
P2RY6 Q15077 7/20 0.35
NT5E P21589 1/20 0.34

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
SCHEMBL9705171 1.00 SLC28A1 (0.47) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL17372034 0.80 SLC28A1 (0.49) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL6714493 0.80 SLC28A1 (0.49) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL17372031 0.80 SLC28A1 (0.49) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL25233938 0.79 SLC28A1 (0.48) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL15656073 0.79 SLC28A1 (0.48) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL2985708 0.79 SLC28A1 (0.48) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL30807821 0.78 SLC28A1 (0.45) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL19185143 0.77 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL4271593 0.77 SLC28A1 (0.46) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0199085-B1 JOMOL, ITS DERIVATIVES, PROCESS FOR THE PREPARATION OF THESE SUBSTANCES, THEIR USE AND THEIR PRODUCTION Ehrenfeld, Udo, Dr. (DE) 1992-07-08 EP disclosed
US-5116614-A JOMOL DERIVATIVES AS AGENTS FOR THE USE IN MALIGNANT TUMORS AND LOWERED IMMUNE DEFENSES EHRENFELD UDO (DE) 1992-05-26 US disclosed
US-5053216-A Diagnosis,therapy of malignant tumors EHRENFELD UDO (DE) 1991-10-01 US disclosed
EP-0199085-A2 Jomol, its derivatives, process for the preparation of these substances, their use and their production Ehrenfeld, Udo, Dr. (DE) 1986-10-29 EP disclosed