SCHEMBL98042

SCHEMBL98042

O=[C]OCc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
ALDH1A1 P00352 4/20 0.49
MAOB P27338 5/20 0.44
PARP15 Q460N3 2/20 0.44
PARP10 Q53GL7 2/20 0.44
PARP14 Q460N5 1/20 0.44
TAAR1 Q96RJ0 3/20 0.43
LMNA P02545 3/20 0.41
MCL1 Q07820 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HBB P68871 1/20 0.38

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
SCHEMBL5543468 0.84 IDO1 (0.38) IDO1ALDH1A1MAOBPARP15PARP10
SCHEMBL2096282 0.80 TAAR1 (0.50) IDO1ALDH1A1MAOBPARP15PARP10
SCHEMBL5984175 0.77 GABRA1 (0.41) IDO1KDM4EL3MBTL1
SCHEMBL5537730 0.77 MMP1 (0.40) IDO1ALDH1A1TAAR1MMP1MMP2
SCHEMBL96252 0.76 IDO1 (0.58) IDO1MAOBKDM4E
SCHEMBL177343 0.75 FDPS (0.38) IDO1ALDH1A1L3MBTL1
SCHEMBL28923 0.75 IDO1 (0.55) IDO1ALDH1A1PARP10TAAR1MMP1
SCHEMBL5519683 0.75 IDO1 (0.55) IDO1TAAR1KDM4E
SCHEMBL98917 0.75 IDO1 (0.55) IDO1MAOBTAAR1MMP1MMP2
SCHEMBL1937871 0.75 IDO1 (0.55) IDO1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009032840-A1 FLUORINE- SUBSTITUTED 2 ', 6 ' -DIMETHYL-L-TYROSINE-1, 2,3, 4-TETRAHYDR0IS0QUIN0LINE-3-CARB0XYLIC ACID PEPTIDES (DMT-TIC) FOR USE AS MYU- AND DELTA-OPIOID RECEPTOR PROBES IN THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-03-12 WO claimed
WO-2005016869-A1 NOVEL DENDRIMER COMPOUND, A BIOCHIP USING THE SAME AND A FABRICATING METHOD THEREOF POSTECH FOUNDATION (KR) 2005-02-24 WO claimed
EP-0004022-B1 PENTAFLUOROBENZYLOXYCARBONYL DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS INSECTICIDES AND ACARICIDES BAYER AG (DE) 1981-09-16 EP claimed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2640719-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-09-25 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-0543662-A2 Aromatic amino-alcohol derivatives having anti-diabetic and anti-obesity properties, their preparation and their therapeutic uses Sankyo Company Limited (JP) 1993-05-26 EP disclosed
EP-0272016-B1 2BETA-SUBSTITUTED-METHYLPENICILLANIC ACID DERIVATIVES, AND SALTS AND ESTERS THEREOF TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1992-04-08 EP disclosed
EP-0273599-B1 PROCESS FOR PREPARING 2BETA-SUBSTITUTED-METHYL-PENICILLIN DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1992-04-01 EP disclosed
US-4933444-A Process for preparing 2β-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1990-06-12 US disclosed
US-4898939-A Process for preparing 2β-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1990-02-06 US disclosed
US-4891369-A BETA-LACTAMASE INHIBITORS TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1990-01-02 US disclosed
EP-0331394-A1 Process for preparing 2 beta-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1989-09-06 EP disclosed
EP-0273599-A1 Process for preparing 2beta-substituted-methyl-penicillin derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-07-06 EP disclosed
EP-0272016-A1 2beta-substituted-methylpenicillanic acid derivatives, and salts and esters thereof TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-06-22 EP disclosed