SCHEMBL5501281

SCHEMBL5501281

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
LMNA P02545 3/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MTOR P42345 1/20 0.32
APP P05067 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9501097 0.89 NR1H2 (0.38) TSHRKMT2AHPGDMEN1MAPK1
SCHEMBL9675530 0.81 MAPT (0.36) TSHRKMT2AHPGDMEN1MAPK1
SCHEMBL6212063 0.81 PPOX (0.35) TSHRKMT2AHPGDMEN1LMNA
SCHEMBL7510135 0.80 CA1 (0.38) CA1CA2CA4
SCHEMBL8102404 0.80 TAS1R3 (0.38) HPGDNPSR1LMNANPC1RAB9A
SCHEMBL9414350 0.80 APP (0.34) KMT2AMEN1NR1H2NR1H3HTT
SCHEMBL7506823 0.79 MAPT (0.33) TSHRKMT2AHPGDMEN1MAPK1
SCHEMBL10472145 0.79 WDR5 (0.35) TSHRKMT2AHPGDMEN1LMNA
SCHEMBL8111792 0.78 LMNA (0.34) HPGDNPSR1LMNANPC1RAB9A
SCHEMBL10684699 0.78 SMN1; SMN2 (0.39) HPGDNPSR1CA1CA2LMNA

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 16 patents. 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
US-5563138-A 4-OXOQUINOLINE-3-CARBOXYLIC ACID COMPOUNDS HAVING ANTIMICROBIAL ACTIVITY OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-10-08 US 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-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