SCHEMBL904555

SCHEMBL904555

O=C(O)CC(=O)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 1/20 0.62
NPC1 O15118 2/20 0.59
PTPN1 P18031 1/20 0.59
RAB9A P51151 1/20 0.59
MAPT P10636 4/20 0.55
MEN1 O00255 2/20 0.55
HPGD P15428 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALOX12 P18054 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CES1 P23141 2/20 0.52
CES2 O00748 1/20 0.52
HTR7 P34969 1/20 0.52
CYP3A4 P08684 2/20 0.50
HSD11B1 P28845 2/20 0.50
BCL2L1 Q07817 1/20 0.50
BAD Q92934 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
Fluoride SCHEMBL11175607 0.98 PLOD2 (0.60) PLOD2NPC1PTPN1RAB9AMAPT
SCHEMBL6824453 0.90 PLOD2 (0.56) PLOD2NPC1PTPN1RAB9AMAPT
SCHEMBL2491432 0.88 PLOD2 (0.69) PLOD2NPC1PTPN1RAB9AMAPT
SCHEMBL29249309 0.88 KMT2A (0.62) PLOD2NPC1PTPN1RAB9AMAPT
SCHEMBL10731900 0.84 MEN1 (0.74) PLOD2NPC1PTPN1RAB9AMAPT
SCHEMBL13575390 0.83 ERCC5 (0.67) PLOD2NPC1PTPN1RAB9AMAPT
SCHEMBL11175600 0.82 PLOD2 (0.62) PLOD2NPC1PTPN1RAB9AMAPT
SCHEMBL30114978 0.82 PLOD2 (0.62) PLOD2NPC1PTPN1RAB9AMAPT
SCHEMBL9352579 0.81 TSHR (0.60) NPC1PTPN1RAB9AMAPTMEN1
SCHEMBL3846985 0.80 PLOD2 (0.60) PLOD2NPC1PTPN1RAB9AMAPT

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101932325-A Ido inhibitors NEWLINK GENETICS 2010-12-29 CN claimed
EP-2227233-A2 IDO INHIBITORS Newlink Genetics (US) 2010-09-15 EP claimed
WO-2009073620-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-06-11 WO claimed
CN-118598836-A Method for asymmetrically synthesizing chiral trans-3, 4-dihydrocoumarin derivative 中北大学 2024-09-06 CN disclosed
WO-2024024760-A1 PYRAZOLONE COMPOUND AND PYRAZOLONE AGENT 公益財団法人野口研究所 2024-02-01 WO disclosed
CN-117088861-A 2-substituted aryl-oxazolin-4-one derivative and application thereof 浙江大学 2023-11-21 CN disclosed
CN-113527205-B Preparation method of blonanserin intermediate 湖南省湘中制药有限公司 2022-04-01 CN disclosed
CN-110526867-B Method for efficiently preparing blonanserin intermediate 湖南省湘中制药有限公司 2021-12-03 CN disclosed
CN-113527205-A Preparation method of blonanserin intermediate 湖南省湘中制药有限公司 2021-10-22 CN disclosed
CN-106831603-B A kind of preparation method containing fluoropyrimidine compound 辽宁大学 2019-07-02 CN disclosed
CN-107567442-A Inhibitors of hepatitis C virus polymerase 共晶制药公司 2018-01-09 CN disclosed
US-5124453-A Treatment of corresponding aldehyde with lithium bis(tri-methylsilyl)amide E. R. SQUIBB & SONS, INC. (US) 1992-06-23 US disclosed
US-5091378-A Anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1992-02-25 US disclosed
EP-0444532-A1 Phosphorus-containing HMG-CoA reductase inhibitors, new intermediates and method E.R. SQUIBB & SONS, INC. (US) 1991-09-04 EP disclosed
US-5025000-A Anticholesterol, antilipemic agents E. R. SQUIBB & SONS, INC. (US) 1991-06-18 US disclosed
US-4997837-A Enzyme inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-05 US disclosed
US-4906624-A 6-(((Substituted)pyridin-3-yl)alkyl)-and alkenyl)-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis WARNER-LAMBERT COMPANY (US) 1990-03-06 US disclosed
US-4904671-A ANTIARTHRITIC AGENTS; PLATELET ACTIVATING FACTOR PFIZER INC. (US) 1990-02-27 US disclosed
EP-0330327-A2 Dihydropyridines, their preparation and their use as PAF-antagonists Pfizer Limited (GB) 1989-08-30 EP disclosed
US-3983239-A PSYCHOTROPIC DAINIPPON PHARMACEUTICAL CO., LTD. (JA) 1976-09-28 US disclosed