SCHEMBL9309424

SCHEMBL9309424

COc1ccccc1C(c1ccccc1)(c1ccccc1)C(O)[C@@H]1C=C(F)[C@H](n2ccc(=O)[nH]c2=O)O1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DUT P33316 3/20 0.35
NT5E P21589 1/20 0.31
HSP90AA1 P07900 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL9310427 0.78 DUT (0.38) DUTNT5E
SCHEMBL442714 0.77 SLC28A1 (0.43)
SCHEMBL6328518 0.75 DUT (0.50) DUTNT5ECYP3A4CYP2C9
SCHEMBL9174049 0.73 DUT (0.33) DUTNT5ECYP3A4CYP2C9
SCHEMBL443437 0.73 DUT (0.35) DUTNT5ECYP3A4CYP2C9
SCHEMBL9176009 0.72 NT5E (0.38) DUTNT5E
SCHEMBL9738791 0.72 DUT (0.38) DUTNT5ECYP3A4CYP2C9
SCHEMBL9494704 0.67 DUT (0.31) DUT
SCHEMBL5486401 0.67 LMNA (0.46) HSP90AA1
SCHEMBL442715 0.66 P2RY14 (0.48)

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-0316017-B1 2',3'-Dideoxy-2'-fluoronucleosides BRISTOL MYERS SQUIBB CO (US) 1994-01-19 EP disclosed
US-5218106-A From 2'-doexy-2'-fluoronucleosides; viricides BRISTOL-MYERS COMPANY (US) 1993-06-08 US disclosed
US-4908440-A 2',3'-dideoxy-2'-fluoroarabinopyrimidine nucleosides BRISTOL MYERS COMPANY (US) 1990-03-13 US disclosed