SCHEMBL4719374

SCHEMBL4719374

CCCCSCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 3/20 0.56
▸ SLC17A5 Q9NRA2 1/20 0.54
▸ MDM4 O15151 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ TNF P01375 2/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ MDM2 Q00987 4/20 0.49

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
SCHEMBL8111105 0.96 TLR2 (0.59) TLR2SLC17A5MDM4TP53TNF
SCHEMBL10073558 0.96 TLR2 (0.59) TLR2SLC17A5MDM4TP53TNF
SCHEMBL7763897 0.92 TLR2 (0.55) TLR2SLC17A5MDM4TP53TNF
SCHEMBL31461329 0.91 TLR2 (0.57) TLR2SLC17A5MDM4TP53TNF
SCHEMBL16801838 0.90 SLC17A5 (0.55) TLR2SLC17A5MDM4TP53CASP3
SCHEMBL29456972 0.89 SLC17A5 (0.51) TLR2SLC17A5MDM4TP53TNF
SCHEMBL29398108 0.89 SLC17A5 (0.58) TLR2SLC17A5MDM4TP53TNF
SCHEMBL1486194 0.89 SLC17A5 (0.58) TLR2SLC17A5MDM4TP53TNF
SCHEMBL6158264 0.88 SLC17A5 (0.54) TLR2SLC17A5MDM4TP53TNF
SCHEMBL16801655 0.88 SLC17A5 (0.54) TLR2SLC17A5MDM4TP53CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101133060-B Enzyme inhibitors CHROMA THERAPEUTICS LTD 2013-06-05 — — CN disclosed
CN-101133060-A Enzyme inhibitors CHROMA THERAPEUTICS LTD (GB) 2008-02-27 — — CN disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 — — EP disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 — — WO disclosed
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