SCHEMBL1556635

SCHEMBL1556635

COc1c(F)c(C2CC2)cc2c(=O)c(C(=O)O)c[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
GSK3B P49841 1/20 0.38
CSNK2A2 P19784 4/20 0.38
CSNK2B P67870 4/20 0.38
CSNK2A1 P68400 4/20 0.38
CYP1A2 P05177 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 2/20 0.37
POLB P06746 1/20 0.36
PRKD3 O94806 1/20 0.36
ALOX15 P16050 1/20 0.36
OPRM1 P35372 1/20 0.36
CLK2 P49760 1/20 0.36
KCNH2 Q12809 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL14940558 0.90 CYP3A4 (0.38) ALDH1A1KDM4EHPGDGSK3BCYP1A2
SCHEMBL4723533 0.86 CYP1A2 (0.53) ALDH1A1KDM4EHPGDCYP1A2MEN1
SCHEMBL7017055 0.84 KDM4E (0.44) ALDH1A1KDM4EHPGDCSNK2A2CSNK2B
SCHEMBL7512756 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDGSK3BCSNK2A2
SCHEMBL4721467 0.83 KDM4E (0.43) ALDH1A1KDM4EHPGDCSNK2A2CSNK2B
SCHEMBL8117111 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDGSK3BCSNK2A2
SCHEMBL9535556 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDGSK3BCSNK2A2
SCHEMBL7517309 0.76 KDM4E (0.35) ALDH1A1KDM4EHPGDCSNK2A2CSNK2B
SCHEMBL1629770 0.76 KDM4E (0.37) ALDH1A1KDM4EHPGDCSNK2A2CSNK2B
SCHEMBL1552485 0.76 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDCSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303271-A1 TREATMENT OF ANTIBIOTIC-RESISTANT BACTERIA INFECTION Taigen Biotechnology Co., Ltd. (TW) 2011-04-06 EP disclosed
EP-2185143-A2 ANTIMICROBIAL PARENTERAL FORMULATION Taigen Biotechnology Co., Ltd. (TW) 2010-05-19 EP disclosed
WO-2010009014-A2 ANTIBIOTIC DRUG TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2010-01-21 WO disclosed
WO-2010002415-A1 TREATMENT OF ANTIBIOTIC-RESISTANT BACTERIA INFECTION TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2010-01-07 WO disclosed
WO-2010002965-A2 PNEUMONIA TREATMENT TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2010-01-07 WO disclosed
WO-2009023473-A2 ANTIMICROBIAL PARENTERAL FORMULATION TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-02-19 WO disclosed
EP-2001862-A2 MALATE SALTS, AND POLYMORPHS OF (3S,5S)-7-Ý3-AMINO-5-METHYL-PIPERIDINYL¨-1-CYCLOPROPYL-1,4-DIHYDRO-8-METHOXY-4-OXO-3-QUINOLINECARBOXYLIC ACID The Procter and Gamble Company (US) 2008-12-17 EP disclosed
EP-1999125-A2 A COUPLING PROCESS FOR PREPARING QUINOLONE INTERMEDIATES The Procter and Gamble Company (US) 2008-12-10 EP disclosed
EP-1999106-A1 A HYDRIDE REDUCTION PROCESS FOR PREPARING QUINOLONE INTERMEDIATES The Procter and Gamble Company (US) 2008-12-10 EP disclosed
EP-1931684-A2 OXAZOLIDINONE-QUINOLONE HYBRIDS AS ANTIBACTERIAL COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-06-18 EP disclosed
WO-2007110836-A1 A HYDRIDE REDUCTION PROCESS FOR PREPARING QUINOLONE INTERMEDIATES THE PROCTER & GAMBLE COMPANY (US) 2007-10-04 WO disclosed
WO-2007110834-A2 MALATE SALTS, AND POLYMORPHS OF (3S,5S)-7-[3-AMINO-5-METHYL-PIPERIDINYL]-1-CYCLOPROPYL-1,4-DIHYDRO-8-METHOXY-4-OXO-3-QUINOLINECARBOXYLIC ACID THE PROCTER & GAMBLE COMPANY (US) 2007-10-04 WO disclosed
WO-2007110835-A2 A COUPLING PROCESS FOR PREPARING QUINOLONE INTERMEDIATES THE PROCTER & GAMBLE COMPANY (US) 2007-10-04 WO disclosed
WO-2007017828-A2 OXAZOLIDINONE-QUINOLONE HYBRIDS AS ANTIBACTERIAL COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-02-15 WO disclosed
EP-1432705-A2 DUAL ACTION ANTIBIOTICS Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2004-06-30 EP disclosed
WO-2003032962-A2 DUAL ACTION ANTIBIOTICS Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-04-24 WO disclosed
EP-1015445-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2000-07-05 EP disclosed
WO-1999014214-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 1999-03-25 WO disclosed