SCHEMBL6535251

SCHEMBL6535251

CCCCC(=O)OCC[Si](C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.59
DNM1 Q05193 1/20 0.49
PAM P19021 2/20 0.44
NAAA Q02083 1/20 0.44
HTR2C P28335 1/20 0.43
MGLL Q99685 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
MAPT P10636 3/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.41
CNR1 P21554 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL28634633 0.92 DGKA (0.71) DGKADNM1PAMNAAAHTR2C
SCHEMBL28886791 0.88 DGKA (0.47) DGKADNM1PAMNAAAHTR2C
SCHEMBL9061933 0.84 DGKA (0.44) DGKADNM1MAPTTSHR
Ethylene Glycol Dipentanoate SCHEMBL812973 0.83 DGKA (0.82) DGKADNM1PAMNAAAHTR2C
SCHEMBL14818311 0.82 DGKA (0.47) DGKADNM1PAMHTR2CPRSS1
SCHEMBL28736793 0.82 TSHR (0.50) DGKADNM1PAMMAPTTSHR
SCHEMBL2724170 0.82 DGKA (0.47) DGKADNM1PAMTSHRALDH1A1
SCHEMBL14518483 0.81 NAAA (0.60) DGKADNM1PAMNAAAHTR2C
SCHEMBL6163153 0.81 DGKA (0.50) DGKADNM1PAMTSHRALDH1A1
SCHEMBL5971956 0.81 DGKA (0.50) DGKADNM1PAMTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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