SCHEMBL17928525

SCHEMBL17928525

CCCCCCCCC(=O)[C@H](CCSC)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 6/20 0.53
▸ KMT2A Q03164 1/20 0.47
▸ TNF P01375 2/20 0.47
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ FDFT1 P37268 1/20 0.45

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
SCHEMBL27252656 0.90 TLR2 (0.51) TLR2KMT2ATNF
SCHEMBL30824273 0.88 TLR2 (0.55) TLR2KMT2ATNFHDAC1HDAC2
SCHEMBL27252655 0.83 TLR2 (0.48) TLR2KMT2ATNF
SCHEMBL29400804 0.83 FDFT1 (0.57) TLR2FDFT1
SCHEMBL4600701 0.83 FDFT1 (0.57) TLR2FDFT1
SCHEMBL800035 0.83 FDFT1 (0.57) TLR2FDFT1
SCHEMBL800305 0.83 FDFT1 (0.57) TLR2FDFT1
SCHEMBL13108944 0.83 FDFT1 (0.49) KMT2AHDAC1HDAC2FDFT1
SCHEMBL29087900 0.83 FDFT1 (0.49) KMT2AHDAC1HDAC2FDFT1
SCHEMBL13029965 0.83 FDFT1 (0.49) KMT2AHDAC1HDAC2FDFT1

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-9394371-B2 Antibody-mediated disruption of quorum sensing in bacteria THE SCRIPPS RESEARCH INSTITUTE (US) 2016-07-19 — — US disclosed
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