SCHEMBL7903019

SCHEMBL7903019

CC(=O)O[C@H]1[C@@H](F)[C@H](OCc2ccccc2)O[C@@H](C)[C@H]1OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
PDPK1 O15530 1/20 0.36
MTOR P42345 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
FGF1 P05230 2/20 0.34
FGF2 P09038 2/20 0.34
VEGFA P15692 2/20 0.34
HPSE Q9Y251 2/20 0.34
LGALS8 O00214 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
SCHEMBL7898146 1.00 ALDH1A1 (0.41) ALDH1A1POLBLMNATSHRKMT2A
SCHEMBL7898143 1.00 ALDH1A1 (0.41) ALDH1A1POLBLMNATSHRKMT2A
SCHEMBL8650408 0.89 ALDH1A1 (0.42) ALDH1A1POLBLMNATSHRKMT2A
SCHEMBL8672177 0.84 PDPK1 (0.37) ALDH1A1LMNATSHRKMT2ACYP2D6
SCHEMBL13130008 0.83 PDPK1 (0.47) ALDH1A1POLBLMNATSHRKMT2A
SCHEMBL13129987 0.83 PDPK1 (0.47) ALDH1A1POLBLMNATSHRKMT2A
SCHEMBL13129838 0.83 PDPK1 (0.47) ALDH1A1POLBLMNATSHRKMT2A
SCHEMBL13129806 0.83 PDPK1 (0.47) ALDH1A1POLBLMNATSHRKMT2A
SCHEMBL13129911 0.83 PDPK1 (0.47) ALDH1A1POLBLMNATSHRKMT2A
SCHEMBL13130040 0.83 PDPK1 (0.47) ALDH1A1POLBLMNATSHRKMT2A

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