SCHEMBL16801655

SCHEMBL16801655

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC17A5 Q9NRA2 1/20 0.54
▸ MDM4 O15151 3/20 0.51
▸ TP53 P04637 3/20 0.51
▸ TLR2 O60603 2/20 0.49
▸ KMT2A Q03164 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ CASP3 P42574 2/20 0.46
▸ MDM2 Q00987 6/20 0.46

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 0.96 SLC17A5 (0.55) SLC17A5MDM4TP53TLR2KMT2A
SCHEMBL10073558 0.91 TLR2 (0.59) SLC17A5MDM4TP53TLR2KMT2A
SCHEMBL8111105 0.91 TLR2 (0.59) SLC17A5MDM4TP53TLR2KMT2A
SCHEMBL20780206 0.89 TLR2 (0.53) SLC17A5MDM4TP53TLR2KMT2A
SCHEMBL4719374 0.88 TLR2 (0.56) SLC17A5MDM4TP53TLR2CASP3
SCHEMBL6158264 0.88 SLC17A5 (0.54) SLC17A5MDM4TP53TLR2KMT2A
SCHEMBL7763897 0.87 TLR2 (0.55) SLC17A5MDM4TP53TLR2HDAC1
SCHEMBL16801787 0.87 SLC17A5 (0.53) SLC17A5MDM4TP53TLR2CASP3
SCHEMBL25362302 0.85 MDM2 (0.57) MDM4TP53TLR2KMT2ACASP3
SCHEMBL4600023 0.85 MDM2 (0.57) MDM4TP53TLR2KMT2ACASP3

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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