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SCHEMBL7599000

SCHEMBL7599000

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3cc(C=CCNC(=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 8)

geneUniProtsupporting neighboursconfidence
▸ TMIGD3 P0DMS9 3/20 0.33
▸ ADORA3 P0DMS8 6/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ADORA2A P29274 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ ACSS2 Q9NR19 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
SCHEMBL10344716 0.94 TMIGD3 (0.33) TMIGD3ADORA3ADORA1POLBADORA2A
SCHEMBL7603323 0.92 BRD4 (0.32) TMIGD3ADORA3ADORA1POLBADORA2A
SCHEMBL7598997 0.92 POLB (0.31) POLB
SCHEMBL7599048 0.91 TMIGD3 (0.33) TMIGD3ADORA3ADORA1POLBADORA2A
SCHEMBL7599446 0.90 TMIGD3 (0.33) TMIGD3ADORA3ADORA1POLBADORA2A
SCHEMBL7599663 0.90 SNCA (0.37) TMIGD3ADORA3ADORA1NPC1RAB9A
SCHEMBL10821859 0.88 TMIGD3 (0.34) TMIGD3ADORA3ADORA1POLBADORA2A
SCHEMBL7599198 0.87 TMIGD3 (0.36) TMIGD3ADORA3ADORA1POLBADORA2A
SCHEMBL10344715 0.86 POLB (0.30) POLB
SCHEMBL7603317 0.85 — —

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
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