SCHEMBL5505218

SCHEMBL5505218

CCOC(=O)C(=CNC1CC1)C(=O)c1c(F)cc(F)c(F)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
DHODH Q02127 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL5505216 1.00 POLB (0.37) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL9501196 0.92 NPSR1 (0.36) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL1348749 0.92 POLB (0.39) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL1348752 0.92 POLB (0.39) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL9676468 0.87 MAPT (0.36) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL8775494 0.87 MAPT (0.36) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL8006995 0.87 MAPT (0.34) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL8006993 0.87 MAPT (0.34) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL8111817 0.86 TAS1R3 (0.36) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL8111818 0.86 TAS1R3 (0.36) MEN1KMT2AMAPTNPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823413-B1 Intermediates for the preparation of benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 2002-02-13 EP claimed
US-5723648-A Intermediates for anti-microbial benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-03-03 US claimed
EP-0823413-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP claimed
EP-1114812-B1 PROCESSES FOR THE PREPARATION OF FLUORINATED BENZOIC ACIDS OTSUKA PHARMA CO LTD (JP) 2007-06-20 EP disclosed
EP-0823413-B1 Intermediates for the preparation of benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 2002-02-13 EP disclosed
US-6333431-B1 ALKYLATING TETRAFLUOROBENZOIC ACID OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-12-25 US disclosed
EP-1114812-A1 PROCESSES FOR THE PREPARATION OF FLUORINATED BENZOIC ACIDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-07-11 EP disclosed
EP-0565132-B1 Benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 2000-10-25 EP disclosed
US-5811576-A 1-CARBOXY-2-LOWERALKYL-3,4,6-TRI(HALO)BENZENES; GRAMPOSITIVE AND-NEGATIVE BACTERIA; INFECTIONS; STERILIZATION OF MEDICAL EQUIPMENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-09-22 US disclosed
US-5723648-A Intermediates for anti-microbial benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-03-03 US disclosed
EP-0823413-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed
EP-0287951-B1 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMA CO LTD (JP) 1996-07-03 EP disclosed
US-5290934-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-01 US disclosed
EP-0565132-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-10-13 EP disclosed
EP-0398967-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1990-11-28 EP disclosed
US-4920120-A 3-CARBOXY, 4-OXO, 6-FLUORO, 7-NITROGEN-CONTAINING RING 1,4-DIHYDRO-1,8-NAPHTHYRIDINES WARNER-LAMBERT COMPANY (US) 1990-04-24 US disclosed
EP-0326891-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-08-09 EP disclosed
WO-1989006649-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-07-27 WO disclosed
EP-0319906-A2 Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-14 EP disclosed
EP-0287951-A2 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-10-26 EP disclosed