SCHEMBL8575611

SCHEMBL8575611

CCOC(=O)c1c(OC)ccc(-c2cc(=O)c3c(O)cc(OCC4=COC(C)(C)O4)cc3o2)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.45
EGFR P00533 1/20 0.43
RET P07949 1/20 0.43
KDR P35968 1/20 0.43
PPARG P37231 1/20 0.42
CYP1B1 Q16678 4/20 0.41
CYP1A1 P04798 3/20 0.41
XDH P47989 2/20 0.41
IP6K2 Q9UHH9 2/20 0.41
CYP1A2 P05177 2/20 0.41
ABCC1 P33527 2/20 0.41
KDM1A O60341 1/20 0.41
IPMK Q8NFU5 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
FLT3 P36888 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CYP19A1 P11511 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 3/20 0.39

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
SCHEMBL8574701 0.87 QPCT (0.41) QPCTEGFRRETKDRPPARG
SCHEMBL8427269 0.85 EGFR (0.43) QPCTEGFRRETKDRPPARG
SCHEMBL8306914 0.83 CYP1B1 (0.43) QPCTEGFRRETKDRPPARG
SCHEMBL8431649 0.82 CYP1B1 (0.51) EGFRPPARGCYP1B1CYP1A1XDH
SCHEMBL8304422 0.82 CYP1B1 (0.63) KDRCYP1B1CYP1A1XDHIP6K2
SCHEMBL8306264 0.82 CYP1B1 (0.63) PPARGCYP1B1CYP1A1XDHIP6K2
SCHEMBL8431650 0.81 EGFR (0.44) QPCTEGFRRETKDRCYP1B1
SCHEMBL8305061 0.81 CYP1B1 (0.59) EGFRRETKDRPPARGCYP1B1
SCHEMBL8306988 0.80 CYP1B1 (0.42) QPCTEGFRRETKDRPPARG
SCHEMBL8306597 0.79 ABCB1 (0.42) QPCTPPARGMAOBABCB1MEN1

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
US-5792789-A TREATING HYPERPERMEABILITY AND INFLAMMATION ADIR ET COMPAGNIE (FR) 1998-08-11 US disclosed