SCHEMBL17246792

SCHEMBL17246792

NCCCCC(N)C(=O)NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 4/20 0.54
KMT2A Q03164 1/20 0.50
MDM2 Q00987 5/20 0.48
CPB1 P15086 1/20 0.48
CPB2 Q96IY4 1/20 0.48
MDM4 O15151 1/20 0.47
TP53 P04637 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 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
SCHEMBL30895549 1.00 TLR2 (0.54) TLR2KMT2AMDM2CPB1CPB2
SCHEMBL30895406 0.98 TLR2 (0.52) TLR2KMT2AMDM2CPB1CPB2
SCHEMBL29681768 0.93 KMT2A (0.55) TLR2KMT2AMDM2CPB1CPB2
SCHEMBL30895587 0.93 KMT2A (0.52) TLR2KMT2AMDM2MDM4TP53
SCHEMBL9933277 0.90 HDAC1 (0.52) TLR2KMT2ACPB1CPB2SIRT2
SCHEMBL9933279 0.90 HDAC1 (0.52) TLR2KMT2ACPB1CPB2SIRT2
SCHEMBL29445594 0.90 KMT2A (0.59) TLR2KMT2AMDM2CPB1CPB2
SCHEMBL30425443 0.90 KMT2A (0.59) TLR2KMT2AMDM2CPB1CPB2
SCHEMBL3624369 0.89 TLR2 (0.58) TLR2KMT2AMDM2MDM4TP53
SCHEMBL29466503 0.89 TLR2 (0.58) TLR2KMT2AMDM2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015171792-A1 METAL/RADIOMETAL-LABELED PSMA INHIBITORS FOR PSMA-TARGETED IMAGING AND RADIOTHERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2015-11-12 WO disclosed