SCHEMBL11246102

SCHEMBL11246102

CCOC(C)(CC(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.44
MAPT P10636 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
FPR2 P25090 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
SCHEMBL4125249 0.81 MMP8 (0.37) MMP8
SCHEMBL27827815 0.80 TP53 (0.36) MMP8
SCHEMBL13534119 0.78 MMP8 (0.39) MMP8GRM2GRM3FPR2
SCHEMBL18946171 0.78 MMP8 (0.39) MMP8GRM2GRM3FPR2
SCHEMBL7351412 0.78 ADORA3 (0.37)
SCHEMBL249765 0.78 ADORA3 (0.37)
Acetic Acid SCHEMBL5977727 0.77 KDM4E (0.30)
SCHEMBL18440459 0.75 GAA (0.48) MMP8GRM2GRM3FPR2
SCHEMBL3286085 0.74 LMNA (0.36)
SCHEMBL3138290 0.74 ALDH1A1 (0.34)

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-4347379-A REACTING AN ALCOHOL OF THIOL, A HALOFORM, ALKALI METAL HYDROXIDE, AND PHASE TRANSFER AGENT THE B. F. GOODRICH COMPANY (US) 1982-08-31 US disclosed