SCHEMBL28968992

SCHEMBL28968992

CCCCCNC(=O)C(Cc1nc2cc(C(=O)O)ccc2o1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 6/20 0.46
▸ KMT2A Q03164 1/20 0.41
▸ TNF P01375 2/20 0.41
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL28968954 0.99 TLR2 (0.47) TLR2KMT2ATNF
SCHEMBL30306748 0.92 TLR2 (0.43) TLR2KMT2A
SCHEMBL28968885 0.82 MDM4 (0.40) TLR2RAB9A
SCHEMBL28968965 0.80 GRIA1 (0.47) RAB9A
SCHEMBL30306884 0.80 GRIA1 (0.47) RAB9A
SCHEMBL28969074 0.79 SLC17A5 (0.45) TNFRAB9A
SCHEMBL28969076 0.79 SLC17A5 (0.45) TNFRAB9A
SCHEMBL30306867 0.79 SLC17A5 (0.45) TNFRAB9A
SCHEMBL20526770 0.77 MDM4 (0.47) TNF
SCHEMBL20526767 0.77 MDM4 (0.47) TNF

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
CN-115666553-A TLR2 modulator compounds, and pharmaceutical compositions and uses thereof 轴向治疗公司 2023-01-31 — — CN disclosed
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