SCHEMBL5547397

SCHEMBL5547397

CCOC(=O)CC(O)N(Cc1ccc(S(C)(=O)=O)cc1)c1cc(Cc2ccccc2)cnc1C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.37
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTA4H P09960 6/20 0.36
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35
RORC P51449 1/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL5545360 0.84 POLB (0.40) POLBTP53KMT2AMAPTMAPK1
SCHEMBL5538554 0.76 PTGS2 (0.39) KMT2AMAPTMEN1
SCHEMBL5540825 0.74 LMNA (0.46) KMT2AMAPTMAPK1SMN1; SMN2MEN1
SCHEMBL5540834 0.69 ALDH1A1 (0.46) TP53KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL14065327 0.69 KDM4E (0.47) TP53KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL9515069 0.68 KDM4E (0.49) POLBTP53KMT2AMAPTMAPK1
SCHEMBL13851063 0.67 KDM4E (0.46) KMT2ASMN1; SMN2LTA4HMEN1
SCHEMBL15163611 0.67 PTGS2 (0.38) KMT2AMAPTMEN1
SCHEMBL5540917 0.66 LMNA (0.46) POLBTP53MAPK1
SCHEMBL13851059 0.65 BRD4 (0.52) KMT2AMAPK1SMN1; SMN2LTA4HMEN1

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-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed