SCHEMBL16801787

SCHEMBL16801787

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC17A5 Q9NRA2 1/20 0.53
▸ MDM4 O15151 3/20 0.50
▸ TP53 P04637 3/20 0.50
▸ TLR2 O60603 2/20 0.48
▸ CASP3 P42574 2/20 0.46
▸ MDM2 Q00987 5/20 0.44
▸ TNF P01375 2/20 0.43

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
SCHEMBL16801838 0.89 SLC17A5 (0.55) SLC17A5MDM4TP53TLR2CASP3
SCHEMBL16801655 0.87 SLC17A5 (0.54) SLC17A5MDM4TP53TLR2CASP3
SCHEMBL30141766 0.86 SLC17A5 (0.53) SLC17A5MDM4TP53TLR2CASP3
SCHEMBL21664276 0.86 SLC17A5 (0.53) SLC17A5MDM4TP53TLR2CASP3
SCHEMBL21837748 0.85 MDM4 (0.55) MDM4TP53TLR2CASP3MDM2
SCHEMBL21837746 0.85 MDM4 (0.55) MDM4TP53TLR2CASP3MDM2
SCHEMBL30854567 0.85 MDM4 (0.55) MDM4TP53TLR2CASP3MDM2
SCHEMBL30141774 0.85 SLC17A5 (0.52) SLC17A5MDM4TP53TLR2CASP3
SCHEMBL18708304 0.85 SLC17A5 (0.52) SLC17A5MDM4TP53TLR2CASP3
SCHEMBL16801769 0.84 SLC17A5 (0.50) SLC17A5MDM4TP53TLR2CASP3

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-9056141-B2 Thiol-ene click chemistry for drug conjugates SYNCHEM, INC. (US) 2015-06-16 — — US disclosed
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