SCHEMBL7004953

SCHEMBL7004953

CCOC(=O)CC(=O)c1cc(F)c(Br)c(C)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
MIF P14174 1/20 0.39
MAPT P10636 7/20 0.37
NLRP3 Q96P20 1/20 0.36
LMNA P02545 3/20 0.35
MAPK1 P28482 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 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
SCHEMBL10516112 0.90 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL2915243 0.87 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL3190037 0.87 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL7010444 0.83 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL1185918 0.82 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL30958584 0.82 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL7010754 0.82 MIF (0.40) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL7007708 0.82 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL9266164 0.81 MEN1 (0.41) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL10618493 0.81 KMT2A (0.39) ALDH1A1KMT2AMEN1KDM4EGAA

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