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SCHEMBL7999768

SCHEMBL7999768

C=CCOP(=O)(OC1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)N(C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ P2RY6 Q15077 6/20 0.41
▸ P2RY14 Q15391 2/20 0.41
▸ NT5E P21589 2/20 0.41
▸ ABL1 P00519 1/20 0.39
▸ RIN1 Q13671 1/20 0.39
▸ TYMP P19971 4/20 0.35
▸ P2RY2 P41231 3/20 0.32
▸ P2RY4 P51582 2/20 0.32
▸ ST6GAL1 P15907 1/20 0.32
▸ ROCK2 O75116 1/20 0.31
▸ P2RY12 Q9H244 1/20 0.31
▸ ADORA3 P0DMS8 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
SCHEMBL6932396 0.83 POLB (0.59) POLBP2RY6P2RY14NT5EABL1
SCHEMBL17992980 0.82 POLB (0.59) POLBP2RY6P2RY14NT5EABL1
SCHEMBL8040360 0.81 POLB (0.52) POLBP2RY6P2RY14NT5EABL1
SCHEMBL8672840 0.81 POLB (0.47) POLBP2RY6P2RY14NT5EABL1
SCHEMBL23157266 0.81 POLB (0.56) POLBP2RY6P2RY14NT5EABL1
SCHEMBL5925303 0.81 POLB (0.56) POLBP2RY6P2RY14NT5EABL1
SCHEMBL23056641 0.81 POLB (0.56) POLBP2RY6P2RY14NT5EABL1
SCHEMBL5358852 0.81 POLB (0.56) POLBP2RY6P2RY14NT5EABL1
SCHEMBL30536137 0.80 POLB (0.53) POLBP2RY6P2RY14NT5EABL1
SCHEMBL14049948 0.80 POLB (0.58) POLBP2RY6P2RY14NT5EABL1

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
WO-2000018778-A1 SYNTHESIS OF CODON RANDOMIZED NUCLEIC ACIDS PHYLOS, INC. (US) 2000-04-06 — — WO disclosed