SCHEMBL16201531

SCHEMBL16201531

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nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL10299778 1.00 PDE4A (0.41) PDE4ALMNAL3MBTL1KDM4ETDP1
SCHEMBL25262519 0.90 PDE4A (0.42) PDE4ALMNAL3MBTL1KDM4ETDP1
SCHEMBL10601522 0.84 PDE4A (0.46) PDE4ALMNAL3MBTL1KDM4ETDP1
SCHEMBL29386817 0.81 PDE4A (0.43) PDE4ALMNAL3MBTL1KDM4ETDP1
SCHEMBL8528869 0.80 KDM4E (0.48) PDE4ALMNAL3MBTL1KDM4ETDP1
SCHEMBL10299846 0.80 KDM4E (0.48) PDE4ALMNAL3MBTL1KDM4ETDP1
SCHEMBL444014 0.80 KDM4E (0.48) PDE4ALMNAL3MBTL1KDM4ETDP1
SCHEMBL10476971 0.79 ALDH1A1 (0.41) PDE4ALMNAL3MBTL1USP2SLCO1B1
SCHEMBL30398967 0.79 ALDH1A1 (0.41) PDE4ALMNAUSP2SLCO1B1CYP2C9
SCHEMBL23531048 0.79 ALDH1A1 (0.41) PDE4ALMNAL3MBTL1USP2SLCO1B1

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-20140322723-A1 DIABETES DIAGNOSIS THROUGH THE DETECTION OF GLYCATED PROTEINS IN URINE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2014-10-30 US disclosed