SCHEMBL7787666

SCHEMBL7787666

O=C(OC[C@H]1OC(OC(=O)c2ccccc2)C[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.61
ALDH1A1 P00352 1/20 0.45
POLB P06746 3/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PPM1B O75688 1/20 0.44
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.43
RNASE1 P07998 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL7151233 1.00 UPP1 (0.61) UPP1ALDH1A1POLBGAAMAPK1
SCHEMBL7151231 1.00 UPP1 (0.61) UPP1ALDH1A1POLBGAAMAPK1
SCHEMBL20142237 0.92 UPP1 (0.56) UPP1ALDH1A1POLBGAAMAPK1
SCHEMBL20804632 0.92 UPP1 (0.56) UPP1ALDH1A1POLBGAAMAPK1
SCHEMBL16631560 0.92 UPP1 (0.56) UPP1ALDH1A1POLBGAAMAPK1
SCHEMBL22992327 0.92 UPP1 (0.56) UPP1ALDH1A1POLBGAAMAPK1
SCHEMBL20142235 0.92 UPP1 (0.56) UPP1ALDH1A1POLBGAAMAPK1
SCHEMBL20141985 0.91 UPP1 (0.57) UPP1ALDH1A1POLBGAAMAPK1
SCHEMBL14232274 0.91 UPP1 (0.57) UPP1ALDH1A1POLBGAAMAPK1
SCHEMBL13908943 0.91 UPP1 (0.57) UPP1ALDH1A1POLBGAAMAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777674-B1 POLYNUCLEOTIDE REAGENTS HAVING NONNUCLEOTIDIC MOIETIES, AND ASSOCIATED METHODS OF SYNTHESIS AND USE BAYER AG (US) 2001-11-28 EP disclosed
EP-0777674-A1 POLYNUCLEOTIDE REAGENTS HAVING NONNUCLEOTIDIC MOIETIES, AND ASSOCIATED METHODS OF SYNTHESIS AND USE CHIRON CORPORATION (US) 1997-06-11 EP disclosed
US-5597909-A Polynucleotide reagents containing modified deoxyribose moieties, and associated methods of synthesis and use CHIRON CORPORATION (US) 1997-01-28 US disclosed
US-5594117-A Polynucleotide reagents containing modified deoxyribose moieties and associated methods of synthesis and use CHIRON CORPORATION (US) 1997-01-14 US disclosed
WO-1996006104-A1 POLYNUCLEOTIDE REAGENTS HAVING NONNUCLEOTIDIC MOIETIES, AND ASSOCIATED METHODS OF SYNTHESIS AND USE CHIRON CORPORATION (US) 1996-02-29 WO disclosed