SCHEMBL7828443

SCHEMBL7828443

Cc1ccc(-c2ccc(C(=O)O)o2)c([N+](=O)[O-])c1.O=C(O)[C@@H]1CCCC[C@H]1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
MAPT P10636 6/20 0.58
KDM4E B2RXH2 1/20 0.58
PDE7A Q13946 1/20 0.49
PDE3A Q14432 1/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
HPGD P15428 3/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 3/20 0.45
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL7828440 1.00 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EPDE7APDE3A
SCHEMBL2637459 0.89 ALDH1A1 (0.72) ALDH1A1MAPTKDM4EPDE7APDE3A
SCHEMBL3327075 0.78 PDE7A (0.57) ALDH1A1MAPTKDM4EPDE7APDE3A
SCHEMBL6463568 0.78 PDE7A (0.57) ALDH1A1MAPTKDM4EPDE7APDE3A
SCHEMBL14991099 0.75 ALDH1A1 (0.66) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL2636854 0.74 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EPDE7AKMT2A
SCHEMBL3326891 0.73 PDE7A (0.48) ALDH1A1MAPTKDM4EPDE7APDE3A
SCHEMBL3360701 0.72 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EPDE7APDE3A
Hydrochloric Acid SCHEMBL3329155 0.72 PDE7A (0.48) ALDH1A1MAPTKDM4EPDE7APDE3A
SCHEMBL13990244 0.71 TSHR (0.53) ALDH1A1MAPTKDM4EPDE7APDE3A

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed