SCHEMBL10934698

SCHEMBL10934698

CC(C)COC(=O)C#C[C@H]1[C@@H](C(=O)O)C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.33
TSHR P16473 3/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL11039535 1.00 RAB9A (0.33) RAB9ATSHRHSP90AA1HSP90AB1ALDH1A1
SCHEMBL10693723 0.86
SCHEMBL10575232 0.86
SCHEMBL10547245 0.82 LMNA (0.36) TSHRALDH1A1
SCHEMBL10549805 0.79 PPM1B (0.33)
SCHEMBL10574983 0.79
SCHEMBL10546984 0.79 TSHR (0.34) TSHR
SCHEMBL11039158 0.78
SCHEMBL10576880 0.78
SCHEMBL10689496 0.77

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-4547522-A INSECTICIDE, MITICIDE, FUNGICIDE, BACTERICIDE,OR NEMATOCIDE ROUSSEL UCLAF (FR) 1985-10-15 US disclosed