SCHEMBL8733933

SCHEMBL8733933

C/C(=C\c1ccc(CC(=O)O)cc1)[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.62
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
JAK2 O60674 1/20 0.55
MITF O75030 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
NTSR1 P30989 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
EGFR P00533 2/20 0.51
ABL1 P00519 1/20 0.51
ABL2 P42684 1/20 0.51
CA2 P00918 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43
AKR1B1 P15121 1/20 0.41
HPGD P15428 2/20 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
SCHEMBL8733935 1.00 FBP1 (0.62) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL7404491 0.86 FBP1 (0.56) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL8736030 0.83 FBP1 (0.53) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL8736029 0.83 FBP1 (0.53) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL10892988 0.81 FBP1 (0.62) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL10892986 0.81 FBP1 (0.62) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL7557512 0.79 CA2 (0.52) ALDH1A1LMNAMAPTCYP3A4CYP2C9
SCHEMBL7139084 0.78 FBP1 (0.68) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL7139089 0.78 FBP1 (0.68) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL7139086 0.78 FBP1 (0.68) FBP1ALDH1A1LMNAMAPTMEN1

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-0874826-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1998-11-04 EP disclosed
WO-1997024331-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-07-10 WO disclosed