SCHEMBL19984701

SCHEMBL19984701

O=C(CC(O)I)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.55
POLB P06746 2/20 0.50
KMT2A Q03164 1/20 0.49
ERCC5 P28715 1/20 0.48
FEN1 P39748 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.47
MAPT P10636 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
PDPK1 O15530 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL16313486 0.82 POLB (0.57) GSK3BPOLBKMT2AERCC5FEN1
SCHEMBL19984698 0.80 GSK3B (0.53) GSK3BPOLBKMT2AL3MBTL1MAPT
SCHEMBL6904340 0.79 GSK3B (0.50) GSK3BPOLBKMT2AERCC5FEN1
SCHEMBL6900441 0.79 GSK3B (0.50) GSK3BPOLBKMT2AERCC5FEN1
SCHEMBL1548812 0.78 KMO (0.67) GSK3BPOLBKMT2AERCC5FEN1
SCHEMBL14889161 0.78 KMO (0.67) GSK3BPOLBKMT2AERCC5FEN1
SCHEMBL19984703 0.78 ERCC5 (0.54) KMT2AERCC5FEN1CYP2C19
SCHEMBL19642630 0.78 GSK3B (0.61) GSK3BPOLBKMT2AERCC5FEN1
SCHEMBL6410944 0.78 POLB (0.60) GSK3BPOLBKMT2AERCC5FEN1
SCHEMBL5254933 0.76 GSK3B (0.67) GSK3BERCC5FEN1L3MBTL1MAPT

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-2306986-B1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC (US) 2018-03-21 EP disclosed