SCHEMBL7474077

SCHEMBL7474077

CCOC(=O)c1ccccc1Cn1ccc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 5/20 0.51
PLAU P00749 2/20 0.47
PLG P00747 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
ELANE P08246 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.45
F2 P00734 1/20 0.42
CTRB1 P17538 1/20 0.42

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
SCHEMBL7477507 0.84 CA12 (0.46) SMN1; SMN2MAPT
SCHEMBL7481379 0.83 ALDH1A1 (0.46) SMN1; SMN2MAPT
SCHEMBL27583585 0.83 LMNA (0.47) ELANESMN1; SMN2MAPT
SCHEMBL7473999 0.82 PPARG (0.49)
SCHEMBL13299386 0.81 KCNJ1 (0.53) PLAUPLGSMN1; SMN2MAPT
SCHEMBL7474367 0.81 MAOA (0.43) MAPT
SCHEMBL7947015 0.80 CYP1A2 (0.48) PLAUNOD2NOD1ELANESMN1; SMN2
SCHEMBL7478282 0.80 TSHR (0.42) ELANESMN1; SMN2MAPT
SCHEMBL3507258 0.80 GAA (0.45) SERPINE1PLAUNOD2NOD1ELANE
SCHEMBL28614458 0.79 SERPINE1 (0.49) SERPINE1PLAUPLG

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
EP-1210343-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-06-05 EP disclosed
WO-2001012187-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-02-22 WO disclosed