SCHEMBL7957578

SCHEMBL7957578

COC[C@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](OC)[C@@H](OC)[C@H]1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
NT5E P21589 1/20 0.36
KCNH2 Q12809 2/20 0.36
KCNJ1 P48048 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPSE Q9Y251 1/20 0.34
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
APP P05067 1/20 0.34

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
SCHEMBL7962256 0.96 MAPT (0.40) MAPTNT5EKCNH2KCNJ1ALDH1A1
SCHEMBL7962254 0.96 MAPT (0.40) MAPTNT5EKCNH2KCNJ1ALDH1A1
SCHEMBL8319213 0.88 CYP1A2 (0.39) MAPTNT5EKCNH2KCNJ1ALDH1A1
SCHEMBL7957573 0.88 CYP1A2 (0.39) MAPTNT5EKCNH2KCNJ1ALDH1A1
SCHEMBL7962086 0.88 MAPT (0.44) MAPTNT5EKCNH2ALDH1A1LMNA
SCHEMBL7955684 0.87 HPSE (0.42) MAPTALDH1A1HPSE
SCHEMBL7955687 0.87 HPSE (0.42) MAPTALDH1A1HPSE
SCHEMBL7962382 0.85 NT5E (0.52) MAPTNT5EHPSEBCHE
SCHEMBL7962386 0.85 NT5E (0.52) MAPTNT5EHPSEBCHE
SCHEMBL7955504 0.85 NT5E (0.55) MAPTNT5EHPSEBCHE

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-6271342-B1 SERUM STABILITY; FOR TUMOR THERAPY BAYER AKTIENGESELLSCHAFT (DE) 2001-08-07 US disclosed