SCHEMBL9624730

SCHEMBL9624730

CCCC(O)c1oc(C)cc(=O)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.43
MMP3 P08254 4/20 0.39
BCL2 P10415 1/20 0.38
MCL1 Q07820 1/20 0.38
PTGS1 P23219 4/20 0.38
PTGS2 P35354 4/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 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
SCHEMBL6991564 0.87 IDH1 (0.45) IDH1MMP3BCL2MCL1PTGS1
SCHEMBL15578472 0.82 IDH1 (0.44) IDH1MMP3BCL2MCL1PTGS1
SCHEMBL6991694 0.78 IDH1 (0.45) IDH1MMP3BCL2MCL1PTGS1
SCHEMBL8274787 0.75 IDH1 (0.46) IDH1MMP3BCL2MCL1PTGS1
SCHEMBL8398573 0.74 TEAD4 (0.51) KDM4EPOLBGAASMN1; SMN2L3MBTL1
SCHEMBL2117322 0.72 IDH1 (0.41) IDH1MMP3BCL2MCL1PTGS1
SCHEMBL8397201 0.69 MMP2 (0.47) MMP3BCL2MCL1PTGS1PTGS2
SCHEMBL2606810 0.69 IDH1 (0.41) IDH1MMP3BCL2MCL1PTGS1
SCHEMBL5315829 0.68 MMP2 (0.49) MMP3BCL2MCL1PTGS1PTGS2
SCHEMBL9625165 0.68 MMP2 (0.43) IDH1MMP3BCL2MCL1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0473764-A1 METAL COMPLEXES Hider, Robert Charles (GB) 1992-03-11 EP claimed
WO-1991014664-A1 METAL COMPLEXES HIDER ROBERT CHARLES (GB) 1991-10-03 WO claimed
EP-0473764-A1 METAL COMPLEXES Hider, Robert Charles (GB) 1992-03-11 EP disclosed
WO-1991014664-A1 METAL COMPLEXES HIDER ROBERT CHARLES (GB) 1991-10-03 WO disclosed