SCHEMBL28969074

SCHEMBL28969074

O=C(N[C@@H](Cc1nc2cc(C(=O)OCc3ccccc3)ccc2o1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC17A5 Q9NRA2 1/20 0.45
▸ MDM4 O15151 3/20 0.44
▸ TP53 P04637 3/20 0.44
▸ TNF P01375 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ MDM2 Q00987 5/20 0.41
▸ PTPN1 P18031 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39

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
SCHEMBL28969076 1.00 SLC17A5 (0.45) SLC17A5MDM4TP53TNFNPC1
SCHEMBL30306867 1.00 SLC17A5 (0.45) SLC17A5MDM4TP53TNFNPC1
SCHEMBL30306805 0.90 HDAC1 (0.40) SLC17A5MDM4TP53TNFNPC1
SCHEMBL30306748 0.88 TLR2 (0.43) ALDH1A1
SCHEMBL20526770 0.85 MDM4 (0.47) SLC17A5MDM4TP53TNFMDM2
SCHEMBL20526767 0.85 MDM4 (0.47) SLC17A5MDM4TP53TNFMDM2
SCHEMBL20526762 0.84 MDM4 (0.52) SLC17A5MDM4TP53TNFMDM2
SCHEMBL20526765 0.84 MDM4 (0.52) SLC17A5MDM4TP53TNFMDM2
SCHEMBL32676378 0.84 MDM4 (0.52) SLC17A5MDM4TP53TNFMDM2
SCHEMBL20526745 0.82 MDM4 (0.46) SLC17A5MDM4TP53TNFMDM2

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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