SCHEMBL98336

SCHEMBL98336

[CH2]c1ccc(OC)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
HPGD P15428 1/20 0.39
SLC6A4 P31645 4/20 0.39
HTR2A P28223 3/20 0.39
KCNH2 Q12809 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL687956 0.82 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL5957269 0.82 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL28158455 0.78 CA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL29768449 0.78 SLC6A4 (0.54) CA12CA1CA2CA7CA9
SCHEMBL1145316 0.78 SLC6A4 (0.54) CA12CA1CA2CA7CA9
SCHEMBL9490027 0.77 NQO1 (0.50) CA12CA1CA7CA9CA14
SCHEMBL12325069 0.76 HSP90AA1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL9026003 0.75 GPR3 (0.45) CYP1A2CYP2A6HSP90AA1HSP90AB1SLC6A4
SCHEMBL7672389 0.74 CA1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL2205828 0.74 MAPT (0.50) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117088764-A Synthesis and post-treatment method of cefdinir key intermediate 济南大学 2023-11-21 CN claimed
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 WO claimed
CN-104302326-A Therapeutic use of P75NTR neurotrophin binding proteins LEVICEPT LTD 2015-01-21 CN claimed
CN-118302427-A Fused ring derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-07-05 CN disclosed
CN-118146262-A Bi-phosphatidyl amide compound containing multiple tertiary amino structures, composition and application thereof 北京大学 2024-06-07 CN disclosed
CN-118146257-A Phosphatidylamide compound containing multiple tertiary amino structures, composition and application thereof 北京大学 2024-06-07 CN disclosed
CN-118126086-A Phosphate compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2024-06-04 CN disclosed
CN-118084868-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
CN-118084867-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
CN-118084870-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
EP-0069373-A1 (5R, 6R)-Penem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-01-12 EP disclosed
EP-0035046-A1 Novel tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 EP disclosed
US-4267340-A BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US disclosed
EP-0018155-A2 Novel cephalosporin compounds, a process for the preparation thereof, pharmaceutical compositions containing the same and the use thereof as a therapeutic agent against a microorganism NOVO NORDISK A/S (DK) 1980-10-29 EP disclosed
US-4071527-A Certain benzothiazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-01-31 US disclosed
US-4036847-A ANTIBACTERIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-07-19 US disclosed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US disclosed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US disclosed