SCHEMBL9860199

SCHEMBL9860199

CCOC(=O)CC(=O)c1cc(Cl)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 4/20 0.44
POLB P06746 2/20 0.44
GALR2 O43603 1/20 0.44
MITF O75030 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
CCR6 P51684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 4/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.42
KDM4E B2RXH2 2/20 0.42
BCL6 P41182 1/20 0.41
BCOR Q6W2J9 1/20 0.41
VCAM1 P19320 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
SCHEMBL31245529 0.84 HPGD (0.53) ALDH1A1POLBHPGDSMN1; SMN2MAPT
SCHEMBL15060376 0.84 MAPT (0.54) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL10423012 0.83 MAPT (0.47) ALDH1A1LMNAPOLBGALR2MITF
SCHEMBL1301604 0.82 LMNA (0.43) ALDH1A1LMNAPOLBGALR2MITF
SCHEMBL13417556 0.81 MAPT (0.55) ALDH1A1LMNAPOLBGALR2MITF
SCHEMBL7010043 0.79 LMNA (0.43) ALDH1A1LMNAPOLBGALR2MITF
SCHEMBL1003801 0.79 ALDH1A1 (0.43) ALDH1A1LMNAPOLBGALR2MITF
SCHEMBL6284647 0.78 LMNA (0.58) ALDH1A1LMNAMITFHSP90AA1HPGD
SCHEMBL742381 0.78 ALDH1A1 (0.55) ALDH1A1LMNAPOLBHPGDSMN1; SMN2
SCHEMBL9806499 0.78 ALDH1A1 (0.47) ALDH1A1LMNAPOLBSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3101642-A None JP disclosed
JP-H03101642-A BENZOYLACETIC ACID DERIVATIVE, SYNTHESIS INTERMEDIATE OF THE SAME AND PREPARATION OF THE SAME KOREA ADVANCED INST OF SCI TECHNOL 1991-04-26 JP disclosed