SCHEMBL8627316

SCHEMBL8627316

O=[C]OCc1cccc[n+]1[O-]

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PRKDC P78527 1/20 0.34
SLC2A1 P11166 1/20 0.32
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL10855000 0.75 ALDH1A1 (0.49) ALDH1A1LMNAHTTKDM4ETDP1
SCHEMBL13256441 0.75 ALDH1A1 (0.44) ALDH1A1LMNAHTTKDM4ETDP1
SCHEMBL10844519 0.74 ALDH1A1 (0.45) ALDH1A1LMNAHTTKDM4ETDP1
SCHEMBL1046165 0.71
SCHEMBL929210 0.70 ALDH1A1 (0.41) ALDH1A1LMNAHTTKDM4ETDP1
SCHEMBL17067385 0.70 ALDH1A1 (0.41) ALDH1A1LMNAHTTKDM4ETDP1
SCHEMBL3070131 0.70 ALDH1A1 (0.45) ALDH1A1LMNAHTTKDM4ETDP1
SCHEMBL11179883 0.69 TDP1 (0.54) ALDH1A1LMNAKDM4ETDP1MAPT
SCHEMBL904632 0.69
SCHEMBL9291102 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776948-A BACTERICIDE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1998-07-07 US disclosed
US-5565423-A SYNERGISTIC MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-15 US disclosed
EP-0664288-A1 FLUOROQUINOLINE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-07-26 EP disclosed
US-5144027-A Cephalosporins, process for producing the same, intermediates thereof and process for producing the intermediates TOYAMA CHEMICAL CO., LTD. (JP) 1992-09-01 US disclosed
US-4879381-A ANTIBIOTICS TOYOMA CHEMICAL COMPANY, LTD. (JP) 1989-11-07 US disclosed
US-4717767-A ANTIBIOTICS TOYAMA CHEMICAL CO., LTD. (JP) 1988-01-05 US disclosed
US-4698352-A 4-oxo-1,4-dihydronicotinic acid derivatives, salts thereof, and antibacterial agents containing the same TOYAMA CHEMICAL CO., LTD. (JP) 1987-10-06 US disclosed
US-4673738-A Novel intermediates of cephalosporins and process for producing 7-(substituted or unsubstituted amino)-3-substituted methyl-Δ3 -cephem-4-carboxylic acids HANDI-PAC INC. (US) 1987-06-16 US disclosed
US-4618606-A Antibiotic 7-(thiazolyl)-3-(pyrazinylmethyl) or (pyridazinylmethyl) cephalosporins TOYAMA CHEMICAL CO., LTD. (JP) 1986-10-21 US disclosed
US-4614819-A REACTING A THIOL ESTER COMPOUND WITH 7-AMINOCEPHALOSPORIN IN PRESENCE OF BORON TRIFLUORIDE TOYAMA CHEMICAL CO., LTD. (JP) 1986-09-30 US disclosed
US-4610983-A N-acyl acidic amino acid diamide derivative, a salt thereof, and an anti-ulcer agent containing the same TOYAMA CHEMICAL CO., LTD. (JP) 1986-09-09 US disclosed
US-4563534-A Process for producing 2-(2-aminothiazol-4-yl)glyoxylic acid derivative or a salt thereof, and intermediates therefor and process for producing the intermediates TOYAMA CHEMICAL CO., LTD. (JP) 1986-01-07 US disclosed
US-4489072-A BACTERICIDE, ANTIBIOTIC TOYAMA CHEMICAL CO., LTD. (JP) 1984-12-18 US disclosed
US-4395412-A 7α-Methoxycephalosporins TOYAMA CHEMICAL CO., LTD. (JP) 1983-07-26 US disclosed
US-4385178-A REACTION OF A CEPHALOSPORANIC ACID WITH A THIOL COMPOUND IN THE PRESENCE OF BORON TRIFLUORIDE TOYAMA CHEMICAL CO., LTD. (JP) 1983-05-24 US disclosed
US-4321265-A 7α-Methoxycephalosporins TOYAMA CHEMICAL CO., LTD. (JP) 1982-03-23 US disclosed
US-4317907-A ANHYDROUS CONDITIONS IN THE PRESENCE OF BOREN TRIFLUORIDE OR ONE OF ITS COMPLEXES TOYAMA CHEMICAL CO., LTD. (JP) 1982-03-02 US disclosed
US-4312986-A REACTION OF CORRESPONDING ESTER OR CARBAMATE WITH MERCAPTO COMPOUND TOYAMA CHEMICAL CO., LTD. (JP) 1982-01-26 US disclosed
US-4263292-A BROAD SPECTRUM ANTIBIOTICS TOYAMA CHEMICAL CO., LTD. (JP) 1981-04-21 US disclosed