SCHEMBL7599198

SCHEMBL7599198

COC(=O)C=Cc1cn([C@H]2C[C@H](O)[C@@H](C(O)C(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)O2)c(=O)nc1NC(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 4/20 0.36
ADORA3 P0DMS8 11/20 0.35
ADORA1 P30542 2/20 0.35
ADORA2A P29274 2/20 0.34
POLB P06746 1/20 0.33
SNCA P37840 1/20 0.33
ADORA2B P29275 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL7599190 0.91 POLB (0.32) POLB
SCHEMBL2114276 0.88 TMIGD3 (0.40) TMIGD3ADORA3ADORA1ADORA2APOLB
SCHEMBL10821859 0.88 TMIGD3 (0.34) TMIGD3ADORA3ADORA1ADORA2APOLB
SCHEMBL7599000 0.87 TMIGD3 (0.33) TMIGD3ADORA3ADORA1ADORA2APOLB
SCHEMBL10344716 0.86 TMIGD3 (0.33) TMIGD3ADORA3ADORA1ADORA2APOLB
SCHEMBL7599048 0.86 TMIGD3 (0.33) TMIGD3ADORA3ADORA1ADORA2APOLB
SCHEMBL7651302 0.85 TMIGD3 (0.36) TMIGD3ADORA3ADORA1ADORA2APOLB
SCHEMBL7603323 0.84 BRD4 (0.32) TMIGD3ADORA3ADORA1ADORA2APOLB
SCHEMBL7599663 0.84 SNCA (0.37) TMIGD3ADORA3ADORA1SNCANPC1
SCHEMBL7599446 0.84 TMIGD3 (0.33) TMIGD3ADORA3ADORA1ADORA2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0135587-B2 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS SYNGENE INC (US) 2002-12-18 EP disclosed
EP-0135587-B1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS SYNGENE, INC. (US) 1990-05-02 EP disclosed
EP-0135587-A4 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS. MOLECULAR BIOSYSTEMS INC (US) 1986-04-02 EP disclosed
EP-0135587-A1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS. MOLECULAR BIOSYSTEMS INC (US) 1985-04-03 EP disclosed
WO-1984003285-A1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS MOLECULAR BIOSYSTEMS INC (US) 1984-08-30 WO disclosed