SCHEMBL25512062

SCHEMBL25512062

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 4/20 0.40
ADORA3 P0DMS8 9/20 0.38
ADORA1 P30542 2/20 0.38
ADORA2A P29274 2/20 0.36
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
ADORA2B P29275 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL2114276 0.92 TMIGD3 (0.40) TMIGD3ADORA3ADORA1ADORA2APOLB
SCHEMBL25512274 0.86 POLB (0.42) TMIGD3POLBABL1RIN1
SCHEMBL2114275 0.84 POLB (0.34) TMIGD3ADORA2APOLBHSP90AA1HSP90AB1
SCHEMBL22984016 0.82 TYMP (0.46) TMIGD3ADORA3ADORA1POLB
SCHEMBL261967 0.82 TYMP (0.46) TMIGD3ADORA3ADORA1POLB
SCHEMBL21828786 0.82 TYMP (0.46) TMIGD3ADORA3ADORA1POLB
SCHEMBL25512063 0.81 POLB (0.33) TMIGD3ADORA3ADORA1ADORA2APOLB
SCHEMBL7599198 0.80 TMIGD3 (0.36) TMIGD3ADORA3ADORA1ADORA2APOLB
SCHEMBL7651302 0.80 TMIGD3 (0.36) TMIGD3ADORA3ADORA1ADORA2APOLB
SCHEMBL332975 0.78 POLB (0.51) TMIGD3ADORA3POLBHSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159922-A1 MODIFIED OLIGOMERIC COMPOUNDS AND USES THEREOF IONIS PHARMACEUTICALS, INC. (US) 2023-05-25 US disclosed