SCHEMBL16918608

SCHEMBL16918608

C=C=C[C@@]1(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1ccc(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ RNASE1 P07998 1/20 0.35
▸ P2RY2 P41231 6/20 0.35
▸ P2RY4 P51582 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ POLA1 P09884 1/20 0.34
▸ P2RY12 Q9H244 3/20 0.34
▸ NT5E P21589 1/20 0.34
▸ GAPDH P04406 1/20 0.33

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
SCHEMBL12522790 1.00 POLB (0.43) POLBMEN1USP2KMT2AHSD17B10
SCHEMBL18477477 0.91 POLB (0.46) POLBMEN1USP2KMT2AHSD17B10
SCHEMBL12525584 0.91 POLB (0.46) POLBMEN1USP2KMT2AHSD17B10
SCHEMBL15833368 0.91 POLB (0.46) POLBMEN1USP2KMT2AHSD17B10
SCHEMBL12452536 0.90 POLB (0.43) POLBMEN1USP2KMT2AHSD17B10
SCHEMBL25579717 0.83 POLB (0.49) POLBMEN1USP2KMT2AHSD17B10
SCHEMBL23348448 0.83 POLB (0.47) POLBMEN1USP2KMT2AHSD17B10
SCHEMBL14853784 0.83 POLB (0.47) POLBMEN1USP2KMT2AHSD17B10
SCHEMBL1828639 0.83 POLB (0.47) POLBMEN1USP2KMT2AHSD17B10
SCHEMBL6422530 0.83 POLB (0.47) POLBMEN1USP2KMT2AHSD17B10

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-9085599-B2 2′allene-substituted nucleoside derivatives ENANTA PHARMACEUTICALS, INC. (US) 2015-07-21 — — US disclosed
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