SCHEMBL28919649

SCHEMBL28919649

COC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccc(CO)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 7/20 0.70
▸ ERAP2 Q6P179 5/20 0.58
▸ ERAP1 Q9NZ08 4/20 0.58
▸ GAA P10253 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ TSHR P16473 1/20 0.56
▸ KMT2A Q03164 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ MDM4 O15151 1/20 0.53
▸ MDM2 Q00987 1/20 0.53
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ KDR P35968 1/20 0.52
▸ TAS1R3 Q7RTX0 1/20 0.51
▸ TAS1R1 Q7RTX1 1/20 0.51
▸ CTSL P07711 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GLA P06280 1/20 0.50

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
SCHEMBL7511247 0.88 LNPEP (0.76) LNPEPERAP2ERAP1GAARAB9A
SCHEMBL7511243 0.88 LNPEP (0.76) LNPEPERAP2ERAP1GAARAB9A
SCHEMBL2972303 0.88 LNPEP (0.68) LNPEPERAP2ERAP1GAARAB9A
SCHEMBL13330073 0.88 LNPEP (0.68) LNPEPERAP2ERAP1GAARAB9A
SCHEMBL13669575 0.88 LNPEP (0.68) LNPEPERAP2ERAP1GAARAB9A
SCHEMBL13885677 0.88 GAA (0.73) LNPEPERAP2ERAP1GAARAB9A
SCHEMBL3928164 0.88 LNPEP (0.67) LNPEPERAP2ERAP1GAARAB9A
SCHEMBL3928165 0.88 LNPEP (0.67) LNPEPERAP2ERAP1GAARAB9A
SCHEMBL8721006 0.85 LNPEP (0.68) LNPEPERAP2ERAP1GAARAB9A
SCHEMBL11359792 0.85 LNPEP (0.71) LNPEPERAP2ERAP1GAARAB9A

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-106008665-B Compound with tumor proliferation inhibition function and preparation method and application thereof 北京大学 2021-03-16 — — CN disclosed
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