SCHEMBL7899767

SCHEMBL7899767

C[C@@H]1O[C@H](OCc2ccccc2)[C@H](F)[C@H](O)[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
SLC6A2 P23975 1/20 0.37
SLC5A2 P31639 1/20 0.36
EPHX2 P34913 3/20 0.36
PDPK1 O15530 1/20 0.36
MTOR P42345 1/20 0.36
SSTR5 P35346 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
SELL P14151 1/20 0.34
SELP P16109 1/20 0.34
IDO1 P14902 1/20 0.34
PDE4D Q08499 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
SCHEMBL7899771 1.00 TOP2A (0.39) TOP2ATOP2BSLC6A2SLC5A2EPHX2
SCHEMBL7899770 0.90 SLC6A2 (0.40) SLC6A2SLC5A2PDPK1MTORSSTR5
SCHEMBL7154852 0.88 SLC5A2 (0.45) SLC6A2SLC5A2EPHX2SELLSELP
SCHEMBL20643537 0.88 SLC5A2 (0.45) SLC6A2SLC5A2EPHX2SELLSELP
SCHEMBL7133576 0.88 SLC5A2 (0.45) SLC6A2SLC5A2EPHX2SELLSELP
SCHEMBL15671094 0.88 SLC5A2 (0.45) SLC6A2SLC5A2EPHX2SELLSELP
SCHEMBL3642166 0.88 SLC5A2 (0.45) SLC6A2SLC5A2EPHX2SELLSELP
SCHEMBL8359061 0.82 PDPK1 (0.42) SLC6A2PDPK1MTORSSTR5
SCHEMBL7899774 0.82 PDPK1 (0.39) SLC6A2PDPK1MTORSSTR5
SCHEMBL9503678 0.80 SSTR5 (0.41) SLC6A2PDPK1MTORSSTR5

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-6184365-B1 3,4-DI-O,N-PROTECTED-4-AMINO-2,4,6-TRIDEOXY-2-FLUORO-L-TALOPYR ANOSYL IODIDE OR BROMIDE; CHEMICAL INTERMEDIATES FOR PRODUCTION OF NOVEL DAUNOMYCINONE OR ADRIAMYCINONE DERIVATIVES ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 2001-02-06 US disclosed
EP-0848010-A1 Novel anthracycline derivatives having 4-amino-2,4,6-trideoxy-2-fluoro-alpha-L-talopyranosyl group ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1998-06-17 EP disclosed