SCHEMBL16801838

SCHEMBL16801838

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC17A5 Q9NRA2 1/20 0.55
▸ MDM4 O15151 3/20 0.52
▸ TP53 P04637 3/20 0.52
▸ TLR2 O60603 2/20 0.48
▸ CASP3 P42574 2/20 0.48
▸ MDM2 Q00987 6/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL16801655 0.96 SLC17A5 (0.54) SLC17A5MDM4TP53TLR2CASP3
SCHEMBL4719374 0.90 TLR2 (0.56) SLC17A5MDM4TP53TLR2CASP3
SCHEMBL6158264 0.89 SLC17A5 (0.54) SLC17A5MDM4TP53TLR2CASP3
SCHEMBL8111105 0.89 TLR2 (0.59) SLC17A5MDM4TP53TLR2CASP3
SCHEMBL10073558 0.89 TLR2 (0.59) SLC17A5MDM4TP53TLR2CASP3
SCHEMBL16801787 0.89 SLC17A5 (0.53) SLC17A5MDM4TP53TLR2CASP3
SCHEMBL20780206 0.87 TLR2 (0.53) SLC17A5MDM4TP53TLR2CASP3
SCHEMBL19888241 0.86 SLC17A5 (0.58) SLC17A5MDM4TP53TLR2CASP3
SCHEMBL29456972 0.86 SLC17A5 (0.51) SLC17A5MDM4TP53TLR2CASP3
SCHEMBL888345 0.86 SLC17A5 (0.56) 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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