SCHEMBL8129676

SCHEMBL8129676

CN[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)CCC(C)O)C(=O)[C](CC(O)Cc1ccc(OCc2ccco2)cc1)C(O)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.38
IL1RN P18510 1/20 0.34
ERAP2 Q6P179 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
BACE1 P56817 5/20 0.33
PSMB1 P20618 1/20 0.33
PSMB5 P28074 1/20 0.33
PSMB2 P49721 1/20 0.33
MAOB P27338 2/20 0.33
UTS2R Q9UKP6 1/20 0.32
PTPN1 P18031 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
CACNA1B Q00975 1/20 0.31
TP53 P04637 1/20 0.31
REN P00797 1/20 0.31
NPC1 O15118 1/20 0.31
CTSD P07339 2/20 0.30
CTSE P14091 2/20 0.30

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
SCHEMBL8133694 0.84 ACACB (0.39) ACACBPSMB1PSMB5PSMB2MAOB
SCHEMBL8125526 0.79 ACACB (0.36) ACACBTP53
SCHEMBL8140743 0.78 ACACB (0.38) ACACB
SCHEMBL7966455 0.77 ACACB (0.37) ACACBIL1RNERAP2ERAP1PSMB1
SCHEMBL7966713 0.72 ACACB (0.32) ACACB
SCHEMBL7475849 0.71 BACE1 (0.37) BACE1PSMB5CTSDCTSE
SCHEMBL7561050 0.70 MME (0.33) BACE1CTSDCTSE
SCHEMBL9101106 0.69 ACE (0.37) BACE1CTSDCTSE
SCHEMBL7756031 0.69 MAOB (0.43) ACACBMAOBALDH1A1NPC1
SCHEMBL8126804 0.67 MAOB (0.38) ACACBMAOB

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
EP-0973756-A1 THIODEPSIPEPTIDES FOR COMBATING ENDOPARASITES AND A METHOD FOR PRODUCING THE SAME BAYER AG (DE) 2000-01-26 EP disclosed
WO-1998043965-A1 THIODEPSIPEPTIDES FOR COMBATING ENDOPARASITES AND A METHOD FOR PRODUCING THE SAME BAYER AKTIENGESELLSCHAFT (DE) 1998-10-08 WO disclosed