SCHEMBL8747337

SCHEMBL8747337

O=C1CC[C@@H](C(=O)CCl)S1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.32

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
SCHEMBL8747334 1.00 TLR4 (0.32) TLR4
SCHEMBL12104221 0.72
SCHEMBL7775412 0.63
SCHEMBL21648090 0.63 POLB (0.33)
SCHEMBL28544847 0.61 MCL1 (0.42) TLR4
SCHEMBL14470654 0.61 PARP1 (0.35)
SCHEMBL21648217 0.61
SCHEMBL21648208 0.61
SCHEMBL8556521 0.60 CA1 (0.39)
SCHEMBL1132078 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548186-B1 CEPHALOSPORIN DERIVATIVES AND THEIR HOMOLOGUES BEECHAM GROUP PLC (GB) 1997-03-05 EP disclosed
EP-0548186-A1 CEPHALOSPORIN DERIVATIVES AND THEIR HOMOLOGUES. BEECHAM GROUP PLC (GB) 1993-06-30 EP disclosed
WO-1992004353-A1 CEPHALOSPORIN DERIVATIVES AND THEIR HOMOLOGUES BEECHAM GROUP PLC (GB) 1992-03-19 WO disclosed