SCHEMBL8325336

SCHEMBL8325336

CCc1ccc(-c2cc(=O)c3c(O)cc(OCC(C)=O)cc3o2)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.48
EGFR P00533 1/20 0.48
RET P07949 1/20 0.48
KDR P35968 1/20 0.48
KDM5A P29375 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
QPCT Q16769 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
CYP1B1 Q16678 1/20 0.46

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
SCHEMBL7303645 0.90 CYP1B1 (0.57) XDHNPSR1LMNAMAPTCYP1B1
SCHEMBL7308871 0.83 CYP1B1 (0.56) XDHLMNAMAPTCYP1B1
SCHEMBL7316873 0.82 CYP1B1 (0.57) XDHEGFRRETKDRNPSR1
SCHEMBL7311118 0.82 CYP1B1 (0.57) XDHNPSR1LMNAMAPTCYP1B1
SCHEMBL7306885 0.81 CYP1B1 (0.54) XDHEGFRKDM5ACYP1B1
SCHEMBL7307391 0.81 CYP1B1 (0.53) XDHEGFRRETKDRQPCT
SCHEMBL7316709 0.81 CYP1B1 (0.53) XDHEGFRRETKDRMAPT
SCHEMBL7313359 0.80 CYP1B1 (0.55) XDHMAPTCYP1B1
SCHEMBL7306588 0.80 PPARG (0.57) XDHEGFRMAPTCYP1B1
SCHEMBL7310036 0.80 CYP1B1 (0.55) XDHEGFRRETKDRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO disclosed