SCHEMBL375856

SCHEMBL375856

NC(=O)OC(CO)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.47
EPHX1 P07099 2/20 0.47
PKM P14618 2/20 0.47
ALPI P09923 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
CYP1A2 P05177 2/20 0.46
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
CYP2D6 P10635 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TRPA1 O75762 1/20 0.43
LMNA P02545 1/20 0.42
MDM2 Q00987 1/20 0.42
SLC15A1 P46059 1/20 0.41
ANPEP P15144 1/20 0.41
LAP3 P28838 1/20 0.41

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
SCHEMBL28435578 1.00 SRR (0.47) SRREPHX1PKMALPIPTGS1
SCHEMBL28432031 1.00 SRR (0.47) SRREPHX1PKMALPIPTGS1
SCHEMBL28377998 0.90 SRR (0.53) SRRPTGS1LMNA
SCHEMBL29011372 0.86 SRR (0.47) SRREPHX1PKMALPIPTGS1
SCHEMBL29011373 0.86 SRR (0.47) SRREPHX1PKMALPIPTGS1
SCHEMBL28431910 0.84 SRR (0.46) SRREPHX1PKMALPIPTGS1
SCHEMBL8837462 0.84 CPA3 (0.51) SRREPHX1PKMALPIPTGS1
SCHEMBL29403051 0.84 SRR (0.46) SRREPHX1PKMALPIPTGS1
SCHEMBL9280171 0.84 CTSK (0.55) SRREPHX1PKMALPIPTGS1
Hydrochloric Acid SCHEMBL19384700 0.84 SRR (0.49) SRREPHX1PKMALPIPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239948-A Solid forms and methods of making fused tricyclic compounds, including methods of use thereof 豪夫迈·罗氏有限公司 2024-06-25 CN disclosed
CN-117946107-A Solid forms and methods of making fused tricyclic compounds, including methods of use thereof 豪夫迈·罗氏有限公司 2024-04-30 CN disclosed
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 CN disclosed
CN-116903588-A Five-membered and six-membered compound, intermediate, preparation method, composition and application 厦门市博瑞来医药科技有限公司 2023-10-20 CN disclosed
CN-116234802-A Quinoline CGAS antagonist compounds 免疫传感器治疗股份有限公司 2023-06-06 CN disclosed
CN-107207568-B Immunomodulator 百时美施贵宝公司 2021-12-10 CN disclosed
CN-112972648-A Application of protease inhibitor in inhibiting novel coronavirus 珠海诺贝尔国际生物医药研究院有限公司 2021-06-18 CN disclosed
CN-112437685-A Solid forms of 3- ((1R,3R) -1- (2, 6-difluoro-4- ((1- (3-fluoropropyl) azetidin-3-yl) amino) phenyl) -3-methyl-1, 3,4, 9-tetrahydro-2H-pyrido [3,4-b ] indol-2-yl) -2, 2-difluoropropan-1-ol and methods of making fused tricyclic compounds containing a substituted phenyl or pyridinyl moiety, including methods of use thereof 豪夫迈·罗氏有限公司 2021-03-02 CN disclosed
CN-109485645-B Benzothiazole derivative and application thereof 沈阳药科大学 2020-08-04 CN disclosed
CN-107849039-B Heteroaryl substituted aminopyridine compounds 百时美施贵宝公司 2020-07-03 CN disclosed
EP-2542537-A1 NOVEL COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (ROR GAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASE Phenex Pharmaceuticals AG (DE) 2013-01-09 EP disclosed
EP-2079743-B1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2012-01-25 EP disclosed
WO-2011107248-A1 NOVEL COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORγ GAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASE PHENEX PHARMACEUTICALS AG (DE) 2011-09-09 WO disclosed