SCHEMBL26544999

SCHEMBL26544999

COC(CC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)O)c(O)c3OC(C)C)c(O)c2OC(C)C)cc1)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 2/20 0.37
▸ PLAU P00749 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 3/20 0.36
▸ KLK1 P06870 2/20 0.36
▸ KLK5 Q9Y337 2/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ NR1H4 Q96RI1 2/20 0.35
▸ LMNA P02545 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ EP300 Q09472 2/20 0.35
▸ PRSS12 P56730 1/20 0.35
▸ F2 P00734 3/20 0.35
▸ F10 P00742 2/20 0.35

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
SCHEMBL26543681 0.89 PLG (0.38) PLGPLAUKMT2AMAPTKLK1
SCHEMBL24379800 0.79 MEN1 (0.54) KMT2AMAPTALDH1A1HTTNR1H4
SCHEMBL20786981 0.78 MITF (0.42) PLGPLAUKMT2AMAPTALDH1A1
SCHEMBL20787628 0.76 MEN1 (0.41) PLAUKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL30625925 0.76 LMNA (0.47) KMT2AMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL29500371 0.76 MAPT (0.45) KMT2AMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL17795120 0.76 MAPT (0.45) KMT2AMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL19151924 0.76 MAPT (0.45) KMT2AMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL22099920 0.75 POLB (0.40) PLGPLAUKMT2AMAPTKLK1
SCHEMBL26542645 0.75 HDAC1 (0.33) PLGPLAUKMT2AHTTEP300

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
WO-2023196788-A2 METAGENOME-GUIDED BIOSYNTHESIS AND COMPOUNDS AND METHODS OF USE THEREOF THE ROCKEFELLER UNIVERSITY (US) 2023-10-12 — — WO disclosed
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