SCHEMBL11264404

SCHEMBL11264404

CCC(=O)C(C(=O)OC)C(C(C)=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 3/20 0.43
ALOX12 P18054 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.41
GLO1 Q04760 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
SCHEMBL11257484 0.91 ALDH1A1 (0.45) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL11267322 0.86 SMN1; SMN2 (0.43) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL11264969 0.82 ALDH1A1 (0.48) ALDH1A1LMNAL3MBTL1HTTSMN1; SMN2
SCHEMBL10649643 0.81 ALDH1A1 (0.52) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL11270945 0.81 LMNA (0.48) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
Bicarbonate SCHEMBL11547091 0.80 L3MBTL1 (0.48) ALDH1A1LMNAL3MBTL1HTTSMN1; SMN2
SCHEMBL13916496 0.80 CYP2C19 (0.52) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL11269214 0.80 LMNA (0.43) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL11253650 0.79 CACNA1F (0.45) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL11266663 0.79 MAPT (0.44) ALDH1A1LMNACYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4360520-A 1,4-Dihydropyridazine compounds, and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1982-11-23 US disclosed