SCHEMBL8354047

SCHEMBL8354047

CCCCOC(=O)N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.58
▸ KMT2A Q03164 1/20 0.57
▸ MDM2 Q00987 4/20 0.53
▸ SIRT2 Q8IXJ6 1/20 0.50
▸ SIRT1 Q96EB6 1/20 0.50
▸ TNF P01375 1/20 0.48
▸ MDM4 O15151 1/20 0.48
▸ TP53 P04637 1/20 0.48

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
SCHEMBL4600248 0.97 TLR2 (0.59) TLR2KMT2AMDM2TNFMDM4
SCHEMBL26310450 0.95 KMT2A (0.58) TLR2KMT2AMDM2SIRT2SIRT1
SCHEMBL4600667 0.94 TLR2 (0.60) TLR2KMT2AMDM2TNFMDM4
SCHEMBL29528567 0.92 KMT2A (0.66) TLR2KMT2AMDM2MDM4TP53
SCHEMBL260631 0.92 KMT2A (0.66) TLR2KMT2AMDM2MDM4TP53
SCHEMBL29401258 0.92 KMT2A (0.66) TLR2KMT2AMDM2MDM4TP53
SCHEMBL178733 0.92 KMT2A (0.66) TLR2KMT2AMDM2MDM4TP53
SCHEMBL29359997 0.92 KMT2A (0.66) TLR2KMT2AMDM2MDM4TP53
SCHEMBL178698 0.92 KMT2A (0.66) TLR2KMT2AMDM2MDM4TP53
SCHEMBL30272949 0.90 KMT2A (0.56) 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
US-5879898-A DETECTION OF CD44 PROTEINS AND FOR THE IN VIVO IMAGING AND THERAPY OF TUMORS. ISIS INNOVATION LIMITED (GB) 1999-03-09 — — US disclosed
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