SCHEMBL3963472

SCHEMBL3963472

CC(C)(C)[Si](C)(C)Oc1cc(C(=O)OCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 2/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 1/20 0.44
JMJD6 Q6NYC1 1/20 0.44
ADRB2 P07550 1/20 0.43

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
SCHEMBL13693313 0.90 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL3964291 0.86 RAB9A (0.47) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL9127614 0.85 LMNA (0.46) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL30141105 0.84 KMT2A (0.62) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL3960907 0.84 KMT2A (0.62) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL2087641 0.81 NPC1 (0.71) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL28888975 0.79 RAB9A (0.45) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL14511787 0.79 PTGER1 (0.45) SMN1; SMN2LMNATDP1ALDH1A1MAPT
SCHEMBL873776 0.79 SMPD1 (0.70) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL14511752 0.79 SLC6A4 (0.52) RAB9ASMN1; SMN2LMNAALDH1A1

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