SCHEMBL8407752

SCHEMBL8407752

CCOP(=O)(OCC)C(Nc1ncc(OC)cc1OC)P(=O)(OCC)OCC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37
HMGCR P04035 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
MAPT P10636 1/20 0.33
CRHR1 P34998 1/20 0.32
P4HTM Q9NXG6 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL7793579 0.76 KDM4E (0.43) CA12CA1CA2CA9TDP1
SCHEMBL7784779 0.73 CRHR1 (0.43) L3MBTL1TDP1GAAMAPTCRHR1
SCHEMBL9274896 0.69 L3MBTL1 (0.38) L3MBTL1CA12CA1CA2CA9
SCHEMBL7790434 0.68 L3MBTL1 (0.53) L3MBTL1TDP1GAAMAPTSMN1; SMN2
SCHEMBL7784734 0.68 KMT2A (0.45) GAAMAPTSMN1; SMN2
SCHEMBL8166679 0.66 FDPS (0.62) L3MBTL1GAAMAPTSMN1; SMN2
SCHEMBL7793553 0.65 GRM5 (0.50)
SCHEMBL5359859 0.65 TSHR (0.42) GAAMAPTSMN1; SMN2
SCHEMBL5155756 0.65 FDPS (0.47) TDP1
SCHEMBL8519948 0.64 KDM4E (0.40) MAPTSMN1; SMN2

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-5866556-A BONE DISORDERS LEIRAS OY (FI) 1999-02-02 US disclosed