SCHEMBL8887359

SCHEMBL8887359

O=C(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@]2(O)O[C@]12O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
KMT2A Q03164 1/20 0.45
NT5E P21589 1/20 0.41
HSD17B10 Q99714 1/20 0.41
P2RY2 P41231 3/20 0.41
P2RY4 P51582 1/20 0.41
P2RY12 Q9H244 2/20 0.38
POLA1 P09884 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PPM1B O75688 1/20 0.37
SLC28A1 O00337 1/20 0.36
SLC28A2 O43868 1/20 0.36
SLC29A1 Q99808 1/20 0.36
SLC28A3 Q9HAS3 1/20 0.36
P2RY6 Q15077 1/20 0.36
P2RY14 Q15391 1/20 0.36

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
SCHEMBL17372031 0.80 SLC28A1 (0.49) P2RY2P2RY4POLA1SLC28A1SLC28A2
SCHEMBL17372034 0.80 SLC28A1 (0.49) P2RY2P2RY4POLA1SLC28A1SLC28A2
SCHEMBL6714493 0.80 SLC28A1 (0.49) P2RY2P2RY4POLA1SLC28A1SLC28A2
SCHEMBL29324916 0.78 NT5E (0.51) POLBMEN1USP2KMT2ANT5E
SCHEMBL19534595 0.78 P2RY2 (0.60) POLBMEN1USP2KMT2ANT5E
SCHEMBL4328120 0.78 CYP3A4 (0.41) POLBMEN1USP2KMT2ANT5E
SCHEMBL4268285 0.78 CYP3A4 (0.41) POLBMEN1USP2KMT2ANT5E
SCHEMBL4333827 0.78 CYP3A4 (0.41) POLBMEN1USP2KMT2ANT5E
SCHEMBL4325664 0.78 CYP3A4 (0.41) POLBMEN1USP2KMT2ANT5E
SCHEMBL4336395 0.78 CYP3A4 (0.41) POLBMEN1USP2KMT2ANT5E

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
US-5597824-A VIRICIDES ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
US-5420276-A Ring contraction via diazoketone intermediate, active against herpes ABBOTT LABORATORIES (US) 1995-05-30 US disclosed