SCHEMBL7599446

SCHEMBL7599446

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3cc(C=C(C)CNC(=O)C(F)(F)F)c(NC(=O)c4ccccc4)nc3=O)C[C@@H]2O)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 3/20 0.33
ADORA3 P0DMS8 7/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
POLB P06746 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31

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
SCHEMBL7599443 0.92 POLB (0.31) POLB
SCHEMBL7599000 0.90 TMIGD3 (0.33) TMIGD3ADORA3ADORA2AADORA1POLB
SCHEMBL10344716 0.89 TMIGD3 (0.33) TMIGD3ADORA3ADORA2AADORA1POLB
SCHEMBL7603323 0.89 BRD4 (0.32) TMIGD3ADORA3ADORA2AADORA1POLB
SCHEMBL7599663 0.87 SNCA (0.37) TMIGD3ADORA3ADORA1
SCHEMBL7599048 0.86 TMIGD3 (0.33) TMIGD3ADORA3ADORA2AADORA1POLB
SCHEMBL10821859 0.85 TMIGD3 (0.34) TMIGD3ADORA3ADORA2AADORA1POLB
SCHEMBL7598036 0.84 TYMS (0.38)
SCHEMBL7599198 0.84 TMIGD3 (0.36) TMIGD3ADORA3ADORA2AADORA1POLB
SCHEMBL2114276 0.83 TMIGD3 (0.40) TMIGD3ADORA3ADORA2AADORA1POLB

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
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-0113860-B1 PREPARATION PROCESS OF AZO DYES BAYER AG (DE) 1986-04-09 EP disclosed