SCHEMBL7784710

SCHEMBL7784710

COc1ccc(C=C(C(=O)OC(C)C)P(=O)(OC)OC)cc1OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.40
VCP P55072 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 1/20 0.39
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38

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
SCHEMBL8842926 1.00 GAA (0.44) GAATDP1JUNNFKB1POLB
SCHEMBL8842889 0.85 ALDH1A1 (0.47) TDP1MAPTSMN1; SMN2ALDH1A1TUBB4A
SCHEMBL7793570 0.85 MAPT (0.51) GAATDP1JUNNFKB1POLB
SCHEMBL7784722 0.85 ALDH1A1 (0.47) TDP1MAPTSMN1; SMN2ALDH1A1TUBB4A
SCHEMBL7784715 0.84 HDAC1 (0.48) TDP1POLBMAPTHTTSMN1; SMN2
SCHEMBL7784713 0.84 HDAC1 (0.48) TDP1POLBMAPTHTTSMN1; SMN2
SCHEMBL7790430 0.81 POLB (0.53) POLBMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8842878 0.81 POLB (0.53) POLBMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8842915 0.81 SMPD1 (0.50) KDM4ETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8842912 0.81 SMPD1 (0.50) KDM4ETUBB4ATUBBTUBA3CTUBA1B

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