SCHEMBL8102508

SCHEMBL8102508

CCCCCOC(=O)C1CC[N]CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
EPHX2 P34913 1/20 0.42
PPARG P37231 3/20 0.41
EPHX1 P07099 1/20 0.41
TSHR P16473 2/20 0.40
HCAR2 Q8TDS4 1/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CES2 O00748 1/20 0.38

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
SCHEMBL7355116 0.98 NAAA (0.46) NAAAEPHX2PPARGEPHX1TSHR
SCHEMBL6622331 0.95 ALDH1A1 (0.44) EPHX2PPARGTSHRHCAR2MAPK1
SCHEMBL9579253 0.90 EPHX2 (0.41) NAAAEPHX2PPARGEPHX1TSHR
SCHEMBL8860806 0.89 NAAA (0.43) NAAAEPHX2PPARGEPHX1TSHR
SCHEMBL8113396 0.87 PPM1B (0.47) HCAR2ALDH1A1
SCHEMBL1553673 0.87 NAAA (0.55) NAAAEPHX2PPARGEPHX1TSHR
SCHEMBL1296331 0.87 NAAA (0.55) NAAAEPHX2PPARGEPHX1TSHR
SCHEMBL1296678 0.85 NAAA (0.59) NAAAEPHX2PPARGEPHX1TSHR
SCHEMBL1297087 0.85 NAAA (0.59) NAAAEPHX2PPARGEPHX1TSHR
SCHEMBL1296572 0.85 NAAA (0.59) NAAAEPHX2PPARGEPHX1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5591744-A 1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLATE DERIVATIVES; MICROBIOCIDES OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-01-07 US disclosed
US-5563138-A 4-OXOQUINOLINE-3-CARBOXYLIC ACID COMPOUNDS HAVING ANTIMICROBIAL ACTIVITY OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-10-08 US disclosed
US-5495020-A CHEMICAL INTERMEDIATE FOR BACTERICIDES, MICROBIOCIDES, DISINFECTANTS; SIDE EFFECT REDUCTION, ABSORPTION OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-02-27 US 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