SCHEMBL7047161

SCHEMBL7047161

COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)nc3=O)C[C@@H]2OC(=O)OCC(C)c2ccccc2[N+](=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
TYMP P19971 1/20 0.33
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PKM P14618 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL6891890 0.90 POLB (0.48) POLBLMNANPC1RAB9APKM
SCHEMBL6046959 0.87 POLB (0.42) POLBTYMPLMNANPC1RAB9A
SCHEMBL6046979 0.81 TYMP (0.45) POLBTYMPLMNANPC1RAB9A
SCHEMBL6890238 0.80 POLB (0.39) POLBNPC1RAB9A
SCHEMBL6895269 0.76 KDM4E (0.46) POLBTYMPLMNAPKMALDH1A1
SCHEMBL6896046 0.76 SLC29A1 (0.41)
SCHEMBL8712130 0.75 POLB (0.42) POLBTYMPLMNANPC1RAB9A
SCHEMBL6890940 0.75 TYMP (0.41) TYMPNPC1RAB9AALDH1A1
SCHEMBL6046977 0.74 POLB (0.50) POLBLMNAALDH1A1
SCHEMBL6703966 0.74 POLB (0.56) POLBTYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212338-B1 Nucleoside derivatives with photolabile protective groups DEUTSCHES KREBSFORSCH (DE) 2012-11-21 EP disclosed
US-6756492-B1 Nucleoside derivatives with photo-unstable protective groups DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUND DES OFFENTLICHEN RECHTS (DE) 2004-06-29 US disclosed