SCHEMBL4076179

SCHEMBL4076179

CC(C)C1(CO)CCC(C)(C)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 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
SCHEMBL3975485 1.00 ALOX12 (0.31) ALOX12
SCHEMBL12337042 0.67
SCHEMBL4076183 0.67 SIRT2 (0.44)
SCHEMBL3975487 0.67 SIRT2 (0.44)
SCHEMBL1164379 0.63
SCHEMBL4162221 0.63
SCHEMBL12194197 0.62 PIK3CD (0.31)
SCHEMBL20512178 0.60 LMNA (0.34)
SCHEMBL149596 0.60
SCHEMBL430902 0.59 CA1 (0.39)

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
WO-2009052191-A1 INTERNALLY MASKED NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2009-04-23 WO disclosed