SCHEMBL9552002

SCHEMBL9552002

CS(=O)(=O)[C@]1(O)C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DUT P33316 12/20 0.42
SLC28A1 O00337 1/20 0.33
SLC28A2 O43868 1/20 0.33
SLC29A1 Q99808 1/20 0.33
SLC28A3 Q9HAS3 1/20 0.33
NT5E P21589 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
P2RY2 P41231 1/20 0.31
P2RY4 P51582 1/20 0.31

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
SCHEMBL9738798 0.78 DUT (0.39) DUTNT5EMEN1KMT2ACYP3A4
SCHEMBL9723513 0.76 DUT (0.46) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL9174054 0.75 P2RY14 (0.35) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL9738791 0.75 DUT (0.38) DUTNT5EMEN1KMT2ACYP3A4
SCHEMBL9176012 0.74 P2RY14 (0.40) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL9551996 0.73 DUT (0.59) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL6330034 0.72 DUT (0.51) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL6330032 0.72 DUT (0.51) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL9174049 0.72 DUT (0.33) DUTNT5ECYP3A4CYP2C9P2RY2
SCHEMBL9176009 0.71 NT5E (0.38) DUTSLC28A1SLC28A2SLC29A1SLC28A3

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
US-5190926-A HIV virus UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1993-03-02 US disclosed
US-5145840-A Treatment of virac and bacterial infections; aids BURROUGHS WELLCOME CO. (US) 1992-09-08 US disclosed
US-5064946-A 3-azido-2,3-dideoxy-B-D-erythro-pentofuranosyl derivatives of 4(1H)-pyrimidinones; antiretroviral, anti-AIDS BURROUGHS WELLCOME CO. (US) 1991-11-12 US disclosed
EP-0217580-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1987-04-08 EP disclosed