SCHEMBL8102404

SCHEMBL8102404

CCOC(=O)C(C(=O)OCC)C(=O)c1c(C)c(F)c(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 8/20 0.38
TAS1R1 Q7RTX1 8/20 0.38
TAS1R2 Q8TE23 8/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
MTOR P42345 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 3/20 0.33
ESR1 P03372 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
SCHEMBL10684699 0.91 SMN1; SMN2 (0.39) TAS1R3TAS1R1TAS1R2LMNATP53
SCHEMBL8111792 0.87 LMNA (0.34) TAS1R3TAS1R1TAS1R2LMNATP53
SCHEMBL8111565 0.83 RAB9A (0.36) TP53NPSR1HTTTDP1SMN1; SMN2
SCHEMBL9570618 0.83 TP53 (0.35) TP53NPSR1HTTTDP1SMN1; SMN2
SCHEMBL5501281 0.80 TSHR (0.35) LMNANPSR1HTTSMN1; SMN2HPGD
SCHEMBL9501097 0.78 NR1H2 (0.38) TP53NPSR1HTTTDP1SMN1; SMN2
SCHEMBL7506823 0.78 MAPT (0.33) LMNANPSR1HTTTDP1PKM
SCHEMBL15010908 0.74 CES2 (0.51) SMN1; SMN2HPGDRAB9AGAANPC1
SCHEMBL18134165 0.73 HSD17B2 (0.38) LMNASMN1; SMN2HPGDGAAALDH1A1
SCHEMBL332051 0.73 TP53 (0.37) TAS1R3TAS1R1TAS1R2LMNATP53

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 7 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
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
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-5495020-A CHEMICAL INTERMEDIATE FOR BACTERICIDES, MICROBIOCIDES, DISINFECTANTS; SIDE EFFECT REDUCTION, ABSORPTION OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-02-27 US disclosed
EP-0565132-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-10-13 EP 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