SCHEMBL7877052

SCHEMBL7877052

CC(C)(C)OC(=O)N[CH]Cc1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.49
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
GAA P10253 1/20 0.41
ESRRG P62508 4/20 0.40
ESR1 P03372 3/20 0.39
ESR2 Q92731 2/20 0.39
MAPK10 P53779 1/20 0.39
ESRRB O95718 2/20 0.38
BLM P54132 1/20 0.38
CYP17A1 P05093 1/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
NQO2 P16083 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL7878972 0.86 EPHX2 (0.41) MIFGAAESRRGMAPK10CYP17A1
SCHEMBL5041887 0.86 CA12 (0.51) CTSSCTSKMAPK10PPARAPPARG
SCHEMBL6608684 0.83 CYP17A1 (0.52) MAPK10CYP17A1CA12CA1CA7
SCHEMBL3005612 0.76 KDM4E (0.50) ESR1ESR2CA12CA1CA7
SCHEMBL6608862 0.76 CYP3A4 (0.52)
SCHEMBL4423792 0.76 MIF (0.42) MIFCTSSCTSKESRRGESR1
SCHEMBL506202 0.76 GAA (0.57) MIFCTSSCTSKGAANQO2
SCHEMBL6752514 0.75 ESR1 (0.46) MIFCTSSCTSKGAAESR1
SCHEMBL6445761 0.74 ESRRG (0.55) MIFCTSSCTSKGAAESRRG
SCHEMBL32665348 0.74 MIF (0.48) MIFCTSSCTSKGAAESR1

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-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed