SCHEMBL8359470

SCHEMBL8359470

CC(C)(C)OC(=O)COc1ccc(C(=O)NNC(=O)N2CCN(OC(C)(C)C)CC2=C=O)cc1OCC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ ACLY P53396 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTT P42858 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KMT2A Q03164 4/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MEN1 O00255 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL7283847 0.76 KMT2A (0.46) MAPTPOLBHTTSMN1; SMN2KMT2A
SCHEMBL8357838 0.76 KMT2A (0.33) HDAC3HDAC1HDAC2ACLYMAPT
SCHEMBL7289312 0.70 PTPRC (0.41) HDAC3HDAC1HDAC2ACLYMAPT
SCHEMBL8355692 0.70 KMT2A (0.64) KMT2AKDM4E
SCHEMBL7290311 0.68 KMT2A (0.48) KMT2AKDM4E
SCHEMBL8357832 0.68 KMT2A (0.48) HDAC1KMT2AKDM4E
SCHEMBL7289605 0.68 HDAC1 (0.48) HDAC1MAPTKMT2AGAAMEN1
SCHEMBL7280685 0.67 KMT2A (0.48) KMT2AKDM4E
SCHEMBL7292267 0.67 SMPD1 (0.47) HDAC1MAPTPOLBSMN1; SMN2KMT2A
SCHEMBL7284623 0.66 TSHR (0.51) MAPTPOLBHTTKMT2ANPSR1

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-5981531-A FOR INHIBITING PLATELET AGGREGATION ZENECA LIMITED (GB) 1999-11-09 — — US disclosed
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