SCHEMBL7665014

SCHEMBL7665014

C[C@@H]1O[C@@H](Oc2ccc(N)cc2)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
TYR P14679 1/20 0.45
NR1H3 Q13133 1/20 0.44
AKR1B1 P15121 1/20 0.43
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL14852911 1.00 CA12 (0.50) CA12CA9TYRNR1H3AKR1B1
SCHEMBL5525066 1.00 CA12 (0.50) CA12CA9TYRNR1H3AKR1B1
SCHEMBL16021494 1.00 CA12 (0.50) CA12CA9TYRNR1H3AKR1B1
SCHEMBL7152285 1.00 CA12 (0.50) CA12CA9TYRNR1H3AKR1B1
SCHEMBL7652816 1.00 CA12 (0.50) CA12CA9TYRNR1H3AKR1B1
SCHEMBL8829594 1.00 CA12 (0.50) CA12CA9TYRNR1H3AKR1B1
SCHEMBL7957437 0.86 CA12 (0.39) CA12CA9TYRNR1H3AKR1B1
SCHEMBL15196950 0.85 CA12 (0.54) CA12CA9TYRNR1H3AKR1B1
SCHEMBL4289259 0.85 TYR (0.62) CA12CA9TYRNR1H3AKR1B1
SCHEMBL10103003 0.85 CA12 (0.54) CA12CA9TYRNR1H3AKR1B1

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 9 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
WO-2001058932-A1 CYTOSTATIC AGENT GLYCOCONJUGATE BAYER AKTIENGESELLSCHAFT (DE) 2001-08-16 WO 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
EP-0819135-A1 SUGAR-MODIFIED CYTOSTATICS BAYER AG (DE) 1998-01-21 EP disclosed
WO-1996031532-A1 SUGAR-MODIFIED CYTOSTATICS BAYER AKTIENGESELLSCHAFT (DE) 1996-10-10 WO disclosed
US-5286629-A Using product with residue of rhamnose, galactose, or galactose 6-phosphate PARFUMS CHRISTIAN DIOR (FR) 1994-02-15 US disclosed