SCHEMBL3960362

SCHEMBL3960362

C=C(C)OC(=O)c1ccc(OC(=C)C)c(OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
SMPD1 P17405 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HSD17B10 Q99714 1/20 0.47
EGFR P00533 1/20 0.46
SRC P12931 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BRD4 O60885 3/20 0.46
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL6535281 0.88 SMPD1 (0.54) SMN1; SMN2NPC1HPGDRAB9ASMPD1
SCHEMBL10861035 0.82 SMN1; SMN2 (0.63) SMN1; SMN2NPC1HPGDRAB9ASMPD1
SCHEMBL3960997 0.82 TSHR (0.50) SMN1; SMN2NPC1RAB9AKDM4EMEN1
SCHEMBL11284264 0.80 SMPD1 (0.71) SMN1; SMN2NPC1HPGDRAB9ASMPD1
SCHEMBL10861040 0.80 SMN1; SMN2 (0.60) SMN1; SMN2NPC1HPGDRAB9ASMPD1
SCHEMBL11286951 0.78 NPC1 (0.78) SMN1; SMN2NPC1HPGDRAB9ASMPD1
SCHEMBL3245222 0.77 SMPD1 (0.67) SMN1; SMN2NPC1HPGDRAB9ASMPD1
SCHEMBL3123036 0.77 MAOB (0.64) SMN1; SMN2NPC1HPGDRAB9ASMPD1
SCHEMBL9434911 0.77 NPC1 (0.56) SMN1; SMN2NPC1HPGDRAB9ASMPD1
SCHEMBL3960907 0.76 KMT2A (0.62) SMN1; SMN2NPC1HPGDRAB9ASMPD1

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 4 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
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