SCHEMBL7955558

SCHEMBL7955558

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 4/20 0.36
HPSE Q9Y251 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 3/20 0.36
SLC29A1 Q99808 1/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL7656587 0.92 PTGS2 (0.46) PTGS2BCL9CTNNB1ALDH1A1HPSE
SCHEMBL7957336 0.92 PTGS2 (0.46) PTGS2BCL9CTNNB1ALDH1A1HPSE
SCHEMBL7958643 0.81 LGALS8 (0.45) PTGS2ALDH1A1
SCHEMBL8316403 0.81 LGALS8 (0.45) PTGS2ALDH1A1
SCHEMBL9053183 0.79 CA12 (0.48) BCL9CTNNB1LMNAALDH1A1KDM4E
SCHEMBL7596584 0.79 CA12 (0.48) BCL9CTNNB1LMNAALDH1A1KDM4E
SCHEMBL2296345 0.79 CA12 (0.48) BCL9CTNNB1LMNAALDH1A1KDM4E
SCHEMBL2943984 0.79 CA12 (0.48) BCL9CTNNB1LMNAALDH1A1KDM4E
SCHEMBL15782553 0.79 CA12 (0.48) BCL9CTNNB1LMNAALDH1A1KDM4E
SCHEMBL4609138 0.79 CA12 (0.48) BCL9CTNNB1LMNAALDH1A1KDM4E

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 3 patents. 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
EP-0771801-B1 Chromane derivatives AMERICAN HOME PROD (US) 1999-03-03 EP disclosed
EP-0771801-A1 Chromane derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-07 EP disclosed