SCHEMBL7007713

SCHEMBL7007713

CCOC(=O)C(F)C(=O)c1cc(F)c(Br)c(OC(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.35
PDE4A P27815 5/20 0.34
PDE4B Q07343 5/20 0.34
PDE4C Q08493 5/20 0.34
PDE4D Q08499 5/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.32
RAB9A P51151 3/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
FBP1 P09467 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL10516761 0.88 CA12 (0.34) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL8735860 0.87 MEN1 (0.38) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL7010447 0.86 LMNA (0.32) GAASMN1; SMN2ALDH1A1L3MBTL1TSHR
SCHEMBL7004956 0.84 ALDH1A1 (0.35) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL7506697 0.81 MEN1 (0.40) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL10510642 0.79 CES2 (0.46) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL7005407 0.78 ALDH1A1 (0.41) GAASMN1; SMN2ALDH1A1PDE4BTSHR
SCHEMBL6184304 0.77 HSD17B2 (0.40) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL3190052 0.75 CES2 (0.39) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL10830983 0.74 CES2 (0.47) MEN1KMT2AGAASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775702-B1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2003-07-23 EP disclosed
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0775702-A1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-05-28 EP disclosed