SCHEMBL11228876

SCHEMBL11228876

O=C(/C=C\C(=O)OC(=O)C(OC(=O)c1ccccc1OC(C(=O)O)C(OC(=O)c1ccccc1C(=O)OC(C(=O)O)C(O)C(=O)O)C(=O)O)C(OC(=O)c1ccccc1C(=O)OC(C(=O)O)C(O)C(=O)O)C(=O)O)OC(=O)C(OC(=O)c1ccccc1OC(C(=O)O)C(OC(=O)c1ccccc1C(=O)OC(C(=O)O)C(O)C(=O)O)C(=O)O)C(OC(=O)c1ccccc1C(=O)OC(C(=O)O)C(O)C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
SRC P12931 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2D6 P10635 1/20 0.30

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
SCHEMBL7605936 0.83 TSHR (0.46) TP53TSHRSRCKDM4EMAPT
SCHEMBL7181727 0.73 HPGD (0.47) TP53TSHRMAPTHPGDHSD17B10
SCHEMBL2722024 0.73 HPGD (0.47) TP53TSHRMAPTHPGDHSD17B10
SCHEMBL11228874 0.70 KDM4E (0.60) TP53TSHRKDM4EMAPTHPGD
SCHEMBL7605933 0.69 HPGD (0.50) TP53TSHRSRCKDM4EMAPT
SCHEMBL4190179 0.68 TSHR (0.71) TP53TSHRSRCCYP2D6
SCHEMBL3709855 0.68 TSHR (0.71) TP53TSHRSRCCYP2D6
SCHEMBL7761627 0.68 TP53 (0.47) TP53TSHRKDM4EMAPTHPGD
SCHEMBL6910296 0.67 TP53 (0.55) TP53TSHRMAPTHPGDHSD17B10
SCHEMBL698328 0.67 TP53 (0.55) TP53TSHRMAPTHPGDHSD17B10

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
WO-1982000527-A1 RADIOCHROMIC LIQUID SOLUTION BICRON CORP (US) 1982-02-18 WO disclosed