SCHEMBL7010043

SCHEMBL7010043

CCOC(=O)CC(=O)c1cc([N+](=O)[O-])c(F)c(C)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GALR2 O43603 1/20 0.43
MITF O75030 1/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
WDR5 P61964 7/20 0.42
MAPT P10636 6/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.39
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38

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
SCHEMBL1003801 0.93 ALDH1A1 (0.43) LMNAALDH1A1SMN1; SMN2GALR2MITF
SCHEMBL7007303 0.88 ALDH1A1 (0.46) LMNAALDH1A1SMN1; SMN2GALR2MITF
Acrylic Acid SCHEMBL6169912 0.85 LMNA (0.38) LMNAALDH1A1SMN1; SMN2GALR2MITF
SCHEMBL9266164 0.84 MEN1 (0.41) LMNAALDH1A1SMN1; SMN2HPGDWDR5
SCHEMBL1301604 0.82 LMNA (0.43) LMNAALDH1A1SMN1; SMN2GALR2MITF
SCHEMBL7011507 0.81 MAPT (0.38) LMNAALDH1A1SMN1; SMN2GALR2MITF
SCHEMBL7010910 0.81 ALDH1A1 (0.46) LMNAALDH1A1SMN1; SMN2GALR2MITF
SCHEMBL10391659 0.80 MAPT (0.37) LMNAALDH1A1SMN1; SMN2GALR2MITF
SCHEMBL5666711 0.80 LMNA (0.46) LMNAALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL9860199 0.79 ALDH1A1 (0.44) LMNAALDH1A1SMN1; SMN2GALR2MITF

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-0945435-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2003-08-13 EP disclosed
US-6136823-A BACTERICIDES OR VIRICIDES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0945435-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed