SCHEMBL9008140

SCHEMBL9008140

CC1=C(C)CC(C(=O)O)OC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL18318828 0.73
SCHEMBL2877266 0.67 POLB (0.36)
SCHEMBL9004833 0.66 TAAR1 (0.49)
SCHEMBL7489573 0.66 TAAR1 (0.49)
SCHEMBL9004827 0.66 TAAR1 (0.49)
SCHEMBL8634605 0.65 SMN1; SMN2 (0.54) SMN1; SMN2
SCHEMBL30292048 0.65 SMN1; SMN2 (0.54) SMN1; SMN2
SCHEMBL27354248 0.64 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL8527470 0.64 CYP1A2 (0.47)
SCHEMBL16869473 0.61 CYP3A4 (0.38)

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-5491152-A Derivatives of cyclic ethers and sulfides for the treatment of atherosclerosis THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-02-13 US disclosed