SCHEMBL6908837

SCHEMBL6908837

CC(C)(C)c1ccc(COC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C[C@@H]2O)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.56
▸ ENPP1 P22413 3/20 0.55
▸ P2RY1 P47900 1/20 0.55
▸ ATG7 O95352 1/20 0.49
▸ HIF1A Q16665 1/20 0.47
▸ ADORA1 P30542 2/20 0.47
▸ DOT1L Q8TEK3 4/20 0.46
▸ TYMP P19971 1/20 0.46
▸ DTYMK P23919 2/20 0.44
▸ PNP P00491 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL13268677 0.90 POLB (0.58) POLBENPP1P2RY1ATG7HIF1A
SCHEMBL1140597 0.88 POLB (0.58) POLBENPP1P2RY1ATG7HIF1A
SCHEMBL1140505 0.88 POLB (0.60) POLBENPP1P2RY1ATG7HIF1A
SCHEMBL13269208 0.83 POLB (0.53) POLBENPP1P2RY1ATG7HIF1A
SCHEMBL13268821 0.83 POLB (0.54) POLBENPP1P2RY1ATG7HIF1A
SCHEMBL16359945 0.81 POLB (0.67) POLBENPP1P2RY1HIF1AADORA1
SCHEMBL439242 0.81 POLB (0.67) POLBENPP1P2RY1HIF1AADORA1
SCHEMBL10021398 0.81 POLB (0.67) POLBENPP1P2RY1HIF1AADORA1
SCHEMBL24370817 0.81 POLB (0.61) POLBENPP1P2RY1HIF1AADORA1
SCHEMBL31098256 0.81 POLB (0.61) POLBENPP1P2RY1HIF1AADORA1

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-0866071-B1 Modified primers HOFFMANN LA ROCHE (CH) 2004-10-20 — — EP disclosed
EP-0866071-A2 Modified primers F. HOFFMANN-LA ROCHE AG (CH) 1998-09-23 — — EP disclosed
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