SCHEMBL7899774

SCHEMBL7899774

C[C@H]1O[C@H](OCc2ccccc2)[C@H](F)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.39
MTOR P42345 1/20 0.39
SSTR5 P35346 2/20 0.37
SSTR1 P30872 1/20 0.37
SSTR2 P30874 1/20 0.37
SSTR4 P31391 1/20 0.37
SSTR3 P32745 1/20 0.37
FGF1 P05230 2/20 0.36
FGF2 P09038 2/20 0.36
VEGFA P15692 2/20 0.36
HPSE Q9Y251 2/20 0.36
BCHE P06276 2/20 0.35
SLC6A2 P23975 1/20 0.34
ACHE P22303 1/20 0.34
MAPT P10636 2/20 0.33
CYP2C19 P33261 2/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL8670300 0.88 SSTR1 (0.35) PDPK1MTORSSTR5SSTR1SSTR2
SCHEMBL7899424 0.87 SSTR5 (0.37) PDPK1MTORSSTR5SSTR1SSTR2
SCHEMBL7892063 0.87 SSTR1 (0.42) PDPK1MTORSSTR5SSTR1SSTR2
SCHEMBL7899420 0.87 SSTR5 (0.37) PDPK1MTORSSTR5SSTR1SSTR2
SCHEMBL9503684 0.87 SSTR1 (0.42) PDPK1MTORSSTR5SSTR1SSTR2
SCHEMBL7899770 0.87 SLC6A2 (0.40) PDPK1MTORSSTR5SSTR1SSTR2
SCHEMBL8650408 0.86 ALDH1A1 (0.42) PDPK1MTORCYP2C19TSHR
SCHEMBL7775231 0.86 PDPK1 (0.45) PDPK1MTORSSTR5SSTR1SSTR2
SCHEMBL24378456 0.84 PDPK1 (0.47) PDPK1MTORSSTR5SSTR1SSTR2
SCHEMBL7898143 0.83 ALDH1A1 (0.41) PDPK1MTORFGF1FGF2VEGFA

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
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 claimed
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