SCHEMBL10042322

SCHEMBL10042322

CC(=O)C1=CO[C@@H]2OC[C@@]3(O)[C@@H]2[C@@H]1C[C@H]3O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 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
SCHEMBL10042324 0.76 — —
SCHEMBL10070945 0.74 TLR4 (0.45) —
SCHEMBL10042248 0.69 POLB (0.31) —
SCHEMBL10042294 0.62 TLR4 (0.41) —
SCHEMBL10042242 0.59 — —
SCHEMBL13998036 0.58 — —
SCHEMBL10042246 0.57 — —
Acetic Acid SCHEMBL27488214 0.42 — —
SCHEMBL12189870 0.41 — —
SCHEMBL24493961 0.41 HSP90AA1 (0.31) HSP90AA1

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-8093288-B2 Genipin derivatives and uses thereof BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2012-01-10 — — US disclosed
Send feedback