SCHEMBL3259889

SCHEMBL3259889

CC(NC1(C(=O)O)CCC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
HPGD P15428 3/20 0.51
RECQL P46063 1/20 0.50
EPHX1 P07099 2/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 2/20 0.42
APAF1 O14727 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
EPHX2 P34913 1/20 0.41
MME P08473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3259891 1.00 LMNA (0.51) LMNAHPGDRECQLEPHX1NPC1
SCHEMBL3258696 0.81 SMN1; SMN2 (0.49) LMNAHPGDRECQLMEN1KMT2A
SCHEMBL20669337 0.78 CYP1A2 (0.42) LMNAHPGDRECQLUSP2ALOX15
SCHEMBL20669103 0.78 CYP1A2 (0.42) LMNAHPGDRECQLUSP2ALOX15
SCHEMBL13483598 0.78 LMNA (0.56) LMNAHPGDRECQLEPHX1NPC1
SCHEMBL15461461 0.76 ALDH1A1 (0.37) LMNAHPGDMMEALDH1A1
SCHEMBL8257823 0.75 ALDH1A1 (0.40) USP2KMT2AGAAALDH1A1
SCHEMBL5870313 0.75 ALDH1A1 (0.40) USP2KMT2AGAAALDH1A1
SCHEMBL28370198 0.75 LMNA (0.42) LMNAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3178518 0.73 LMNA (0.55) LMNAHPGDRECQLEPHX1NPC1

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
US-RE41149-E1 Stereoisomerically pure 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluoro-1-cyclopropyl]-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid or a pharmaceutically acceptable salt thereof; antibacterial agents DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-23 US disclosed
US-6031102-A Optically active pyridonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-02-29 US disclosed
US-5587386-A BACTERICIDES, MICROBIOCIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed