SCHEMBL3965463

SCHEMBL3965463

COC(=O)CCc1ccc(OCc2ccccc2)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.59
FFAR1 O14842 2/20 0.55
APP P05067 2/20 0.54
EGFR P00533 2/20 0.52
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
HDAC1 Q13547 2/20 0.49
RAF1 P04049 1/20 0.49
MAP2K1 Q02750 1/20 0.49
HDAC2 Q92769 1/20 0.49
CYP19A1 P11511 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
PTPN1 P18031 1/20 0.48
AKR1C3 P42330 2/20 0.47
SRC P12931 1/20 0.47
SMPD1 P17405 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL3968480 0.90 FFAR4 (0.55) FFAR4FFAR1APPMTNR1AMTNR1B
SCHEMBL3969430 0.86 FFAR1 (0.72) FFAR4FFAR1EGFR
SCHEMBL16050838 0.86 FFAR4 (0.57) FFAR4FFAR1APPMTNR1AMTNR1B
SCHEMBL4896209 0.84 FFAR4 (0.58) FFAR4FFAR1APPMTNR1AMTNR1B
SCHEMBL4893421 0.83 FFAR4 (0.54) FFAR4FFAR1APPMTNR1AMTNR1B
SCHEMBL28287006 0.82 CYP19A1 (0.65) APPCYP19A1LMNA
SCHEMBL4895293 0.81 FFAR4 (0.52) FFAR4FFAR1APPMTNR1AMTNR1B
SCHEMBL22208947 0.81 FFAR4 (0.54) FFAR4FFAR1APPEGFRHDAC1
SCHEMBL13693265 0.80 CYP3A4 (0.51) APPHDAC1HDAC2CYP19A1
SCHEMBL10683288 0.80 FFAR1 (0.63) FFAR4FFAR1PTPN1SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589170-B1 Synthesis of cyclic peptides THE UNIVERSITY OF QUEENSLAND (AU) 2009-09-15 US disclosed
US-7589170-B1 Synthesis of cyclic peptides THE UNIVERSITY OF QUEENSLAND (AU) 2009-09-15 US disclosed
EP-1115738-A4 SYNTHESIS OF CYCLIC PEPTIDES UNIV QUEENSLAND (AU) 2004-09-01 EP disclosed
EP-1115738-A1 SYNTHESIS OF CYCLIC PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2001-07-18 EP disclosed
WO-2000018790-A1 SYNTHESIS OF CYCLIC PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2000-04-06 WO disclosed