SCHEMBL9501148

SCHEMBL9501148

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 7/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
MAPT P10636 5/20 0.40
LMNA P02545 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
GLO1 Q04760 1/20 0.35
MAPK1 P28482 2/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
DHODH Q02127 2/20 0.34
STAT3 P40763 1/20 0.33
GAA P10253 2/20 0.33
PLIN1 O60240 1/20 0.33
POLB P06746 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
SCHEMBL25069357 1.00 NPSR1 (0.40) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL5504512 0.91 MAPT (0.40) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL9584777 0.91 MAPT (0.40) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL5504513 0.91 MAPT (0.40) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL25069597 0.87 ESR1 (0.33) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL8927291 0.86 ALDH1A1 (0.38) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL8927289 0.86 NPSR1 (0.38) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL8927294 0.86 ALDH1A1 (0.38) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL8927287 0.86 NPSR1 (0.38) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL7173250 0.86 NPSR1 (0.43) NPSR1MEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0312085-B1 NOVEL QUINOLINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND ANTIBACTERIAL AGENT CONTAINING THEM Dainippon Pharmaceutical Co., Ltd. (JP) 1993-05-12 EP disclosed
US-5164392-A Active against streptococci and staphylococci DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1992-11-17 US disclosed
US-5013841-A Oxo quinoline derivatives DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-05-07 US disclosed
EP-0312085-A2 Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1989-04-19 EP disclosed