Sugi Predict

Sugi Predict / Compounds / SCHEMBL8445425

SCHEMBL8445425

SCHEMBL8445425

CO[C@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(N4CCN(C)CC4)cc(=O)oc3c2C)[C@@H](Oc2ccc3c(N4CCN(C)CC4)cc(=O)oc3c2C)O[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.39
▸ PDE3B Q13370 2/20 0.38
▸ PDE3A Q14432 2/20 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
SCHEMBL8445424 0.94 HSP90AB1 (0.43) HSP90AB1PDE3BPDE3A
SCHEMBL8441708 0.93 PDE3B (0.42) HSP90AB1PDE3BPDE3A
SCHEMBL8440840 0.88 HSP90AB1 (0.42) HSP90AB1PDE3BPDE3A
SCHEMBL6156202 0.87 HSP90AB1 (0.51) HSP90AB1
SCHEMBL8444453 0.85 HSP90AB1 (0.41) HSP90AB1
SCHEMBL6156198 0.83 HSP90AB1 (0.57) HSP90AB1
SCHEMBL8442613 0.83 HSP90AB1 (0.57) HSP90AB1
SCHEMBL8444451 0.78 HSP90AB1 (0.45) HSP90AB1
SCHEMBL6156479 0.71 HSP90AB1 (0.53) HSP90AB1
SCHEMBL6156477 0.67 HSP90AB1 (0.61) HSP90AB1

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-5968939-A ANTIBIOTICS FROM AMINOOXOBENZOPYRAN COMPOUNDS HOECHST MARION ROUSSEL (FR) 1999-10-19 — — US disclosed