SCHEMBL24371646

SCHEMBL24371646

C[C@]1(COC(=O)c2cccc(Cl)c2)O[C@@H](n2ccc(=S)[nH]c2=O)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 1/20 0.37
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
BCHE P06276 2/20 0.34
ABCB1 P08183 6/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCC9 O60706 1/20 0.33
RNASE1 P07998 1/20 0.33
CES2 O00748 1/20 0.33
TSHR P16473 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL21418945 0.85 GAPDH (0.34) GAPDHPOLBMEN1USP2KMT2A
SCHEMBL17958878 0.85 GAPDH (0.34) GAPDHPOLBMEN1USP2KMT2A
SCHEMBL26976634 0.85 GAPDH (0.34) GAPDHPOLBMEN1USP2KMT2A
SCHEMBL17972463 0.85 GAPDH (0.34) GAPDHPOLBMEN1USP2KMT2A
SCHEMBL16576221 0.85 GAPDH (0.34) GAPDHPOLBMEN1USP2KMT2A
SCHEMBL14853834 0.84 POLB (0.44) POLBMEN1USP2KMT2AABCB1
SCHEMBL18574250 0.84 POLB (0.44) POLBMEN1USP2KMT2AABCB1
SCHEMBL19590451 0.84 POLB (0.44) POLBMEN1USP2KMT2AABCB1
SCHEMBL17972480 0.77 POLB (0.36) GAPDHPOLBMEN1USP2KMT2A
SCHEMBL21418943 0.77 POLB (0.36) GAPDHPOLBMEN1USP2KMT2A

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
EP-3043803-B1 NUCLEOTIDE AND NUCLEOSIDE COMPOSITIONS AND THEIR USES UNIV EMORY (US) 2022-04-27 EP disclosed