SCHEMBL8849529

SCHEMBL8849529

CN(C)c1ccc(C=Cc2ccc([N+](=O)[O-])c(CO)c2)cc1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
MAPT P10636 9/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 3/20 0.48
HPGD P15428 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HCAR3 P49019 1/20 0.43
ALDH3A1 P30838 2/20 0.41
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40
APP P05067 2/20 0.39
BACE1 P56817 1/20 0.38
PTGS2 P35354 1/20 0.36

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
SCHEMBL8849524 1.00 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL10335465 0.82 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL10336239 0.77 ALDH1A1 (0.45) ALDH1A1MAPTLMNATDP1POLB
SCHEMBL9632491 0.77 DTYMK (0.49) MAPTNPC1RAB9APOLBBACE1
SCHEMBL7288138 0.76 ALDH5A1 (0.57) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL5594752 0.76 PLA2G4A (0.50) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL5594757 0.76 PLA2G4A (0.50) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL5594749 0.76 PLA2G4A (0.50) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL9798323 0.76 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
Dimethylamine SCHEMBL8849700 0.75 TRPV1 (0.46) ALDH1A1MAPTMAPK1L3MBTL1BACE1

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
EP-0583417-B1 CROSSLINKED POLED POLYMERS FOR NONLINEAR OPTIC APPLICATIONS AND METHOD OF MAKING THEM DU PONT (US) 1997-01-29 EP claimed