SCHEMBL9754544

SCHEMBL9754544

O=C(O)c1cc2cc3oc4c(CO)cccc4c3cc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.51
CSNK2A1 P68400 4/20 0.51
CSNK2A2 P19784 3/20 0.51
CSNK2B P67870 3/20 0.51
CSNK2A3 Q8NEV1 3/20 0.51
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.41
PTGS1 P23219 1/20 0.41
ALOX5 P09917 1/20 0.41
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
GPR35 Q9HC97 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
SCHEMBL9843504 0.83 AKR1B1 (0.46) KDM4EMAPTGLAALDH1A1GAA
SCHEMBL9754456 0.77 PIM1 (0.63) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL12837792 0.77 HPGD (0.44) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL9754537 0.77 PIM1 (0.62) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL9754480 0.75 CTNNB1 (0.37) KDM4EHSD17B10ALOX5PTPN1
SCHEMBL28290284 0.75 GPR35 (0.59) CSNK2A1CSNK2A2CSNK2BCSNK2A3KDM4E
SCHEMBL9843772 0.70 AKR1B1 (0.47) KDM4EMAPTGLAALDH1A1GAA
SCHEMBL6239973 0.70 PIM1 (0.60) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL1635443 0.69 GPR55 (0.48) MAPTALOX5
SCHEMBL4164228 0.69 SLC11A2 (0.53) KDM4EMAPTGLATSHRHTT

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
WO-1991014688-A1 HETERO POLYCYCLIC BIOCIDAL COMPOUNDS AND THEIR USE IN MEDECINE THE WELLCOME FOUNDATION LIMITED (GB) 1991-10-03 WO disclosed
EP-0447703-A1 Hetero polycyclic biocidal compounds, their synthesis and intermediates therefor,formulations containing them and their use in medicine THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-25 EP disclosed