SCHEMBL8139697

SCHEMBL8139697

Cc1c(O)cc(O)cc1CC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
POLB P06746 2/20 0.62
AKR1B1 P15121 1/20 0.45
PTGS1 P23219 2/20 0.45
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ABL1 P00519 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
RIN1 Q13671 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
CYP3A4 P08684 3/20 0.42
ACHE P22303 1/20 0.42
EGFR P00533 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
LMNA P02545 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40

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
SCHEMBL7941957 0.82 AKR1B1 (0.47) MEN1KMT2APOLBAKR1B1PTGS1
SCHEMBL68391 0.79 PTPN1 (0.46) MEN1KMT2APOLBPTGS1PTPN1
SCHEMBL32667421 0.77 MEN1 (1.00) MEN1KMT2APOLBAKR1B1PTGS1
SCHEMBL3838235 0.76 AKR1B1 (0.45) MEN1KMT2APOLBAKR1B1PTGS1
SCHEMBL8464341 0.73 POLB (0.50) MEN1KMT2APOLBAKR1B1KDM4E
SCHEMBL8464943 0.73 POLB (0.54) MEN1KMT2APOLBAKR1B1PTGS1
SCHEMBL8460501 0.73 POLB (0.54) MEN1KMT2APOLBAKR1B1PTPN1
SCHEMBL156238 0.72 TYR (0.60) MEN1KMT2APOLBAKR1B1EGFR
SCHEMBL29419312 0.72 TYR (0.60) MEN1KMT2APOLBAKR1B1EGFR
SCHEMBL3907285 0.72 AKR1B1 (0.67) MEN1KMT2APOLBAKR1B1PTGS1

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-1027155-A1 METAL COMPLEXES SUITABLE FOR ATTACHMENT TO A SUPPORT AND SUPPORTED METAL COMPLEXES The University Court of The University of St Andrews (GB) 2000-08-16 EP disclosed
WO-2000006298-A1 METAL COMPLEXES SUITABLE FOR ATTACHMENT TO A SUPPORT AND SUPPORTED METAL COMPLEXES THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2000-02-10 WO disclosed