SCHEMBL7962086

SCHEMBL7962086

CO[C@H]1[C@@H](OC)[C@@H](COc2ccc([N+](=O)[O-])cc2)O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H]1OC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
SIGMAR1 Q99720 1/20 0.40
LMNA P02545 2/20 0.39
PTGS2 P35354 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAOB P27338 1/20 0.39
POLB P06746 1/20 0.39
KCNH2 Q12809 1/20 0.38
NT5E P21589 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7962254 0.91 MAPT (0.40) MAPTLMNAPTGS2ALDH1A1MAOB
SCHEMBL7962256 0.91 MAPT (0.40) MAPTLMNAPTGS2ALDH1A1MAOB
SCHEMBL7957578 0.88 MAPT (0.39) MAPTLMNAPTGS2ALDH1A1POLB
SCHEMBL7948100 0.88 NT5E (0.55) MAPTLMNAALDH1A1NT5E
SCHEMBL8313564 0.86 CYP1A2 (0.43) ALDH1A1MAOB
SCHEMBL7962085 0.86 CYP1A2 (0.43) ALDH1A1MAOB
SCHEMBL7955497 0.82 NT5E (0.41) MAPTLMNAALDH1A1NT5EKDM4E
SCHEMBL7955494 0.82 NT5E (0.41) MAPTLMNAALDH1A1NT5EKDM4E
SCHEMBL8319213 0.81 CYP1A2 (0.39) MAPTALDH1A1KCNH2NT5E
SCHEMBL7957573 0.81 CYP1A2 (0.39) MAPTALDH1A1KCNH2NT5E

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