SCHEMBL4948567

SCHEMBL4948567

CCOC(=O)C(OC(=O)COc1ccc(N)cc1)Oc1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAOA P21397 1/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
PTPN1 P18031 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL4948537 0.82 GAA (0.42) GAANPSR1TP53SMN1; SMN2LMNA
SCHEMBL654389 0.81 GAA (0.66) TSHRTDP1GAANPSR1TP53
Hydrochloric Acid SCHEMBL6884166 0.79 GAA (0.64) TSHRTDP1GAANPSR1TP53
SCHEMBL11731219 0.77 PPARA (0.47) TSHRTDP1NPSR1SMN1; SMN2LMNA
SCHEMBL14116961 0.77 GAA (0.60) TSHRTDP1GAANPSR1TP53
SCHEMBL8770574 0.76 MAPT (0.67) TSHRTDP1GAATP53NPC1
SCHEMBL14533435 0.74 GAA (0.57) TSHRTDP1GAANPSR1TP53
SCHEMBL14506312 0.74 GAA (0.57) TSHRTDP1GAANPSR1TP53
SCHEMBL14506316 0.74 GAA (0.57) TSHRTDP1GAANPSR1TP53
SCHEMBL658139 0.73 LMNA (0.60) TSHRTDP1GAASMN1; SMN2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931334-A2 FUNCTIONALIZED DRUGS AND POLYMERS DERIVED THEREFROM Bezwada Biomedical LLC (US) 2008-06-18 EP disclosed
WO-2007030538-A2 FUNCTIONALIZED DRUGS AND POLYMERS DERIVED THEREFROM BEZWADA BIOMEDICAL LLC (US) 2007-03-15 WO disclosed