SCHEMBL13588693

SCHEMBL13588693

CCOC(=O)C(Cc1ccc(O)c(-c2cc(CC(NC(C)=O)C(=O)OCC)ccc2O)c1)NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.52
LCK P06239 1/20 0.47
EGFR P00533 1/20 0.44
BACE1 P56817 1/20 0.42
TP53 P04637 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NLRP3 Q96P20 1/20 0.40
MAPT P10636 1/20 0.39
ACACB O00763 1/20 0.38
CA2 P00918 2/20 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
SCHEMBL13632750 0.86 TACR1 (0.43) TACR1LCKEGFRBACE1ALDH1A1
SCHEMBL6534778 0.85 TACR1 (0.48) TACR1LCKEGFRTP53CA2
SCHEMBL6534780 0.85 TACR1 (0.48) TACR1LCKEGFRTP53CA2
Acetyl Tyrosine Ethyl Ester SCHEMBL468858 0.83 TACR1 (0.58) TACR1BACE1
Acetyl Tyrosine Ethyl Ester SCHEMBL14370511 0.83 TACR1 (0.58) TACR1BACE1
Acetyl Tyrosine Ethyl Ester SCHEMBL468756 0.83 TACR1 (0.58) TACR1BACE1
SCHEMBL13588694 0.83 TACR1 (0.48) TACR1LCKEGFRALDH1A1MAPT
SCHEMBL6224832 0.82 TACR1 (0.53) TACR1LCKBACE1TP53ALDH1A1
SCHEMBL3282594 0.82 TACR1 (0.53) TACR1LCKBACE1TP53ALDH1A1
Acetyl Tyrosine Ethyl Ester SCHEMBL25257912 0.82 TACR1 (0.56) TACR1EGFRBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318171-B2 Neurotoxic oligomers PRANA BIOTECHNOLOGY LIMITED (AU) 2012-11-27 US disclosed
US-20090297538-A1 NEUROTOXIC OLIGOMERS PRANA BIOTECHNOLOGY LIMITED (AU) 2009-12-03 US disclosed