SCHEMBL7656587

SCHEMBL7656587

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
ALDH1A1 P00352 5/20 0.36
HPSE Q9Y251 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 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
SCHEMBL7957336 1.00 PTGS2 (0.46) PTGS2BCL9CTNNB1ALDH1A1HPSE
SCHEMBL7955558 0.92 PTGS2 (0.46) PTGS2BCL9CTNNB1ALDH1A1HPSE
SCHEMBL8316403 0.88 LGALS8 (0.45) PTGS2ALDH1A1
SCHEMBL7958643 0.88 LGALS8 (0.45) PTGS2ALDH1A1
SCHEMBL7957577 0.84 ALDH1A1 (0.39) BCL9CTNNB1ALDH1A1HPSEKDM4E
SCHEMBL7655962 0.84 CA12 (0.35) ALDH1A1
SCHEMBL6817377 0.84 CA12 (0.37) BCL9CTNNB1ALDH1A1HPSEKDM4E
SCHEMBL7948150 0.80 NT5E (0.38) PTGS2ALDH1A1HPSE
SCHEMBL15782553 0.79 CA12 (0.48) BCL9CTNNB1ALDH1A1KDM4E
SCHEMBL2296345 0.79 CA12 (0.48) BCL9CTNNB1ALDH1A1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492335-B1 Glycoconjugates from modified camptothecin derivatives (20-O-linkage) BAYER AKTIENGESELLSCHAFT (DE) 2002-12-10 US disclosed
EP-0934329-B1 GLYCOCONJUGATES FROM MODIFIED CAMPTOTHECIN DERIVATES (20-O-LINKAGE) BAYER AG (DE) 2001-12-12 EP disclosed
EP-0939765-B1 GLYCOCONJUGATES OF MODIFIED CAMPTOTHECIN DERIVATIVES (A- OR B-RING LINKAGE) BAYER AG (DE) 2001-12-05 EP disclosed
US-6271342-B1 SERUM STABILITY; FOR TUMOR THERAPY BAYER AKTIENGESELLSCHAFT (DE) 2001-08-07 US disclosed
US-6156754-A Glycoconjugates of modified camptothecin derivatives (A-or B-ring linkage) BAYER AKTIENGESELLSCHAFT (DE) 2000-12-05 US disclosed
EP-0819135-B1 SUGAR-MODIFIED CYTOSTATICS BAYER AG (DE) 1999-11-17 EP disclosed