SCHEMBL9124665

SCHEMBL9124665

O=P12Oc3ccccc3OP(=O)(Oc3ccccc3O1)O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
GPR84 Q9NQS5 3/20 0.34
ATM Q13315 1/20 0.33
HPGD P15428 4/20 0.32
TSHR P16473 2/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
ALOX5 P09917 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HTT P42858 1/20 0.32
AHR P35869 1/20 0.31
ALOX15 P16050 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4103873 0.75 GPR84 (0.48) ABCG2ITGB2ICAM1ITGALGPR84
SCHEMBL29598331 0.73 ABCG2 (0.35) ABCG2ITGB2ICAM1ITGALGPR84
SCHEMBL31005003 0.73 ABCG2 (0.35) ABCG2ITGB2ICAM1ITGALGPR84
SCHEMBL29415555 0.73 GPR84 (0.57) ABCG2ITGB2ICAM1ITGALGPR84
SCHEMBL5804639 0.73 GPR84 (0.57) ABCG2ITGB2ICAM1ITGALGPR84
SCHEMBL9120606 0.73 ABCG2 (0.35) ABCG2ITGB2ICAM1ITGALGPR84
SCHEMBL12831033 0.73 ABCG2 (0.35) ABCG2ITGB2ICAM1ITGALGPR84
SCHEMBL3131204 0.73 ABCG2 (0.35) ABCG2ITGB2ICAM1ITGALGPR84
SCHEMBL2169864 0.73 ABCG2 (0.35) ABCG2ITGB2ICAM1ITGALGPR84
SCHEMBL9124669 0.71 ABCG2 (0.33) ABCG2ITGB2ICAM1ITGALGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5409919-A Pharmaceutically acceptable salt of 7B-[2-(5-amino-1,2,4-thio-diazol-3-yl)-2(Z)-metho-xyiminoacetamido]-3-[(imidazo[1,2-b]pyridazinium-1-yl)methyl]-3-cephem-4-carboxylate and composition comprising same TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-25 US disclosed
EP-0225634-B1 Antibacterial compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-04-06 EP disclosed
EP-0203271-B1 ANTIBACTERIAL COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-05-26 EP disclosed
EP-0160252-B1 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1992-08-26 EP disclosed
US-4962100-A 3-Condensed imidazolium-cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-10-09 US disclosed
EP-0164122-B1 CEPHEM COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 1990-09-19 EP disclosed
US-4946837-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-08-07 US disclosed
EP-0164113-B1 3-PYRAZOLO(1,5-A)PYRIDINIUM CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-05-16 EP disclosed
US-4864022-A 3-Condensed imidazolium-cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-09-05 US disclosed
US-4839351-A Antibacterial compounds, and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed
EP-0229369-A2 Cephalosporins, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1987-07-22 EP disclosed
EP-0074611-B1 METHOD FOR PRODUCTION OF CEPHALOSPORIN COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 1987-07-22 EP disclosed
EP-0225634-A2 Antibacterial compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-06-16 EP disclosed
US-4665065-A 3-pyrazolo(1,5-aαpyridinium cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US disclosed
EP-0216385-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1987-04-01 EP disclosed
US-4642365-A REACTING A PYROCATECHOL DERIVATIVE AND DIHALOPHOSPHOROUS COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-02-10 US disclosed
EP-0203271-A2 Antibacterial compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-12-03 EP disclosed
EP-0160969-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-13 EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP disclosed
EP-0074611-A2 Method for production of cephalosporin compounds Takeda Chemical Industries, Ltd. (JP) 1983-03-23 EP disclosed