SCHEMBL7790430

SCHEMBL7790430

COc1cc(C=C(C(=O)OC(C)C)P(=O)(OC)OC)ccc1OCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.53
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
APP P05067 2/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
MCL1 Q07820 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KLK7 P49862 1/20 0.43
KLK14 Q9P0G3 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SNCA P37840 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42

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
SCHEMBL8842878 1.00 POLB (0.53) POLBHDAC1HDAC2HDAC8APP
SCHEMBL7794807 0.87 POLB (0.43) POLBHDAC1HDAC2HDAC8APP
SCHEMBL7793572 0.84 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL7784715 0.83 HDAC1 (0.48) POLBHDAC1HDAC2HDAC8ALDH1A1
SCHEMBL7784713 0.83 HDAC1 (0.48) POLBHDAC1HDAC2HDAC8ALDH1A1
SCHEMBL8842889 0.82 ALDH1A1 (0.47) APPALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7784722 0.82 ALDH1A1 (0.47) APPALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7793570 0.82 MAPT (0.51) POLBHDAC1HDAC2HDAC8APP
SCHEMBL8842926 0.81 GAA (0.44) POLBALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7784710 0.81 GAA (0.44) POLBALDH1A1KDM4EHPGDSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723969-B1 Phosphonocarboxylic acid derivatives and their use in treating degenerative articular ailments HOECHST AG (DE) 2001-11-14 EP disclosed
US-5627173-A Phosphonoacetic acid derivatives and their use for treating degenerative joint disorders HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed
EP-0723969-A1 Phosphonocarboxylic acid derivatives and their use in treating degenerative articular ailments HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-31 EP disclosed