SCHEMBL18699448

SCHEMBL18699448

CCCCOC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NS

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 6/20 0.49
▸ TNF P01375 2/20 0.46
▸ CASP3 P42574 1/20 0.45
▸ KMT2A Q03164 1/20 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
SCHEMBL8223034 0.89 TLR2 (0.56) TLR2TNFCASP3
SCHEMBL30824463 0.89 TLR2 (0.56) TLR2TNFCASP3
SCHEMBL10081723 0.89 TLR2 (0.56) TLR2TNFCASP3
SCHEMBL30323573 0.85 TLR2 (0.61) TLR2TNFCASP3
SCHEMBL15712984 0.83 TLR2 (0.49) TLR2TNF
SCHEMBL29907904 0.81 CASP3 (0.55) TLR2TNFCASP3KMT2A
SCHEMBL31091386 0.81 TLR2 (0.51) TLR2TNFCASP3KMT2A
SCHEMBL31126369 0.81 TLR2 (0.63) TLR2TNFCASP3
SCHEMBL13464732 0.81 TLR2 (0.63) TLR2TNFCASP3
SCHEMBL14049640 0.81 TLR2 (0.63) TLR2TNFCASP3

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
EP-1673399-B1 DETECTING AND PROFILING MOLECULAR COMPLEXES MONOGRAM BIOSCIENCES INC (US) 2017-04-05 — — EP disclosed
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