SCHEMBL8744118

SCHEMBL8744118

CC(=O)[C@]1(O)[C@H](F)C(Br)O[C@@H]1C(O)C(=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.33
LMNA P02545 1/20 0.33
CES1 P23141 1/20 0.33
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
EPHX1 P07099 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRL1 P41146 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
SCHEMBL3708189 0.89 CES2 (0.33) CES2LMNACES1HIF1AEPAS1
SCHEMBL22206336 0.89 CES2 (0.33) CES2LMNACES1HIF1AEPAS1
SCHEMBL28975466 0.74 CES2 (0.34) CES2LMNACES1HIF1AEPAS1
SCHEMBL5492719 0.74 ALDH1A1 (0.34) CES2LMNACES1HIF1AEPAS1
SCHEMBL10399319 0.69 CES2 (0.36) CES2LMNACES1HIF1AEPAS1
SCHEMBL8822163 0.68 CES2 (0.33) CES2LMNACES1HIF1AEPAS1
SCHEMBL27818420 0.68 CES2 (0.33) CES2LMNACES1HIF1AEPAS1
SCHEMBL27818419 0.68 CES2 (0.33) CES2LMNACES1HIF1AEPAS1
SCHEMBL9064468 0.67 CES2 (0.34) CES2LMNACES1TDP1L3MBTL1
SCHEMBL28597160 0.67 CES2 (0.34) CES2LMNACES1TDP1L3MBTL1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5661136-A 2-halo-2'-fluoro ARA adenosines as antinoplastic agents SOUTHERN RESEARCH INSTITUTE (US) 1997-08-26 US disclosed
EP-0473708-B1 2-HALO-9-(2-DEOXY-2-FLUORO-B-D-ARABINOFURANOSYL) ADENINE NUCLEOSIDE DERIVATIVES SOUTHERN RES INST (US) 1997-01-15 EP disclosed
EP-0595826-A4 2'-FLUORO-2-SUBSTITUTED ADENINYL ARABINOSIDES AS ANTI-CANCER AGENTS SOUTHERN RES INST (US) 1996-01-10 EP disclosed
US-5384310-A Antitumor SOUTHERN RESEARCH INSTITUTE (US) 1995-01-24 US disclosed
EP-0595826-A1 2'-FLUORO-2-SUBSTITUTED ADENINYL ARABINOSIDES AS ANTI-CANCER AGENTS Southern Research Institute (US) 1994-05-11 EP disclosed
WO-1992020347-A1 2'-FLUORO-2-SUBSTITUTED ADENINYL ARABINOSIDES AS ANTI-CANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1992-11-26 WO disclosed
EP-0473708-A4 2-HALO-9-(2-DEOXY-2-FLUORO-B-D-ARABINOFURANOSYL) ADENINE NUCLEOSIDE DERIVATIVES 1992-04-22 EP disclosed
US-5034518-A Anticarcinogenic agents SOUTHERN RESEARCH INSTITUTE (US) 1991-07-23 US disclosed
WO-1990014352-A1 2-HALO-9-(2-DEOXY-2-FLUORO-B-D-ARABINOFURANOSYL) ADENINE NUCLEOSIDE DERIVATIVES SOUTHERN RESEARCH INSTITUTE (US) 1990-11-29 WO disclosed