SCHEMBL1552485

SCHEMBL1552485

COc1c(N2C[C@@H](C)C[C@H](N)C2)c(C2CC2)cc2c(=O)c(C(=O)O)c[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 4/20 0.37
KCNH2 Q12809 5/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 2/20 0.35
OPRM1 P35372 2/20 0.35
PRKD3 O94806 1/20 0.35
ALOX15 P16050 1/20 0.35
CLK2 P49760 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TOP1 P11387 2/20 0.35
RPS6KB1 P23443 1/20 0.35
MATK P42679 1/20 0.35
DYRK1A Q13627 1/20 0.35
MAPKAPK3 Q16644 1/20 0.35
PIM3 Q86V86 1/20 0.35
AURKB Q96GD4 1/20 0.35
MEN1 O00255 1/20 0.33

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
SCHEMBL1558105 1.00 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDKCNH2HSD17B10
SCHEMBL8113361 0.85 KDM4E (0.40) ALDH1A1KDM4EHPGDKCNH2HSD17B10
SCHEMBL1629770 0.84 KDM4E (0.37) ALDH1A1KDM4EHPGDKCNH2HSD17B10
SCHEMBL3123778 0.82 PIM3 (0.38) ALDH1A1KDM4EHPGDKCNH2HSD17B10
SCHEMBL1628321 0.81 KCNH2 (0.38) ALDH1A1KDM4EHPGDKCNH2HSD17B10
SCHEMBL1628646 0.79 PIM3 (0.42) ALDH1A1KDM4EHPGDKCNH2HSD17B10
SCHEMBL1556635 0.76 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDKCNH2HSD17B10
SCHEMBL6501496 0.75 KCNH2 (0.34) ALDH1A1KDM4EHPGDKCNH2HSD17B10
SCHEMBL7017055 0.74 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL1627726 0.74 KDM4E (0.34) ALDH1A1KDM4EHPGDKCNH2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
EP-2001862-B1 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 WARNER CHILCOTT CO LLC (PR) 2011-04-27 EP disclosed
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-2010002965-A2 PNEUMONIA TREATMENT TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2010-01-07 WO disclosed
WO-2010002415-A1 TREATMENT OF ANTIBIOTIC-RESISTANT BACTERIA INFECTION 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-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-1999106-A1 A HYDRIDE REDUCTION PROCESS FOR PREPARING QUINOLONE INTERMEDIATES The Procter and Gamble Company (US) 2008-12-10 EP disclosed
EP-1999125-A2 A COUPLING PROCESS FOR PREPARING QUINOLONE INTERMEDIATES The Procter and Gamble Company (US) 2008-12-10 EP disclosed
WO-2007110834-A3 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 PROCTER & GAMBLE (US) 2007-12-06 WO 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-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