SCHEMBL9852807

SCHEMBL9852807

CC(C)(C)OC(=O)C12CCC(CN1)CC2C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.34

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
SCHEMBL7327145 0.76 ALDH1A1 (0.32)
SCHEMBL28915596 0.75 BTK (0.38) BTK
SCHEMBL9382694 0.71
SCHEMBL7839416 0.69 CTSC (0.31)
SCHEMBL14736807 0.68 CHRM2 (0.34)
SCHEMBL14736393 0.68 CHRM2 (0.34)
SCHEMBL14736773 0.68 CHRM2 (0.34)
SCHEMBL20329780 0.66 BTK (0.44) BTK
SCHEMBL7099487 0.65 ALDH1A1 (0.47) BTK
SCHEMBL7240625 0.65 ALDH1A1 (0.47) BTK

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
EP-0459568-A2 Substituted oxadiazoles and thiadiazoles for use in the treatment of glaucoma and novel compounds having such use MERCK SHARP & DOHME LTD. (GB) 1991-12-04 EP disclosed