SCHEMBL5733644

SCHEMBL5733644

CCOC(=O)C(=CN(c1cc(C(=O)O)cc(Br)c1C)C1CC1)C(=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 3/20 0.34
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TPMT P51580 1/20 0.31
PTP4A1 Q93096 1/20 0.31
TTR P02766 1/20 0.31
GAA P10253 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD11B1 P28845 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL6651194 0.71 MAPT (0.39) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL5699159 0.70 MEN1 (0.34) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL25069399 0.70 NPSR1 (0.40) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL8625558 0.70 KMT2A (0.40) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL7844242 0.69 MEN1 (0.40) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL8645991 0.68 MEN1 (0.41) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL6647935 0.67 NPSR1 (0.37) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL262000 0.66 MAPT (0.38) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL8742151 0.66 TTR (0.48) KMT2AMAPTMEN1LMNAMAPK1
SCHEMBL8626320 0.66 ALDH1A1 (0.40) KMT2AMAPTMEN1LMNANPSR1

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-1070713-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2006-10-18 EP disclosed
US-6335447-B1 BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 2002-01-01 US disclosed
EP-1070713-A1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-01-24 EP disclosed