SCHEMBL19087147

SCHEMBL19087147

COCC(C)(C)C(N)Cc1ccc(OC)c(OCCCO)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
REN P00797 7/20 0.44
TUBB1 Q9H4B7 1/20 0.43
LDHA P00338 1/20 0.41

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
SCHEMBL17709266 0.90 REN (0.48) SIGMAR1REN
SCHEMBL19087186 0.87 ALDH1A1 (0.37) SIGMAR1KDM4EPOLBREN
SCHEMBL17709353 0.81 REN (0.46) SIGMAR1REN
SCHEMBL17709279 0.81 SIGMAR1 (0.49) SIGMAR1KDM4E
SCHEMBL17709369 0.80 REN (0.48) SIGMAR1REN
SCHEMBL16930349 0.80 REN (0.50) SIGMAR1REN
SCHEMBL18457751 0.80 REN (0.53) SIGMAR1KDM4EPOLBRENTUBB1
SCHEMBL19273145 0.79 SIGMAR1 (0.49) SIGMAR1REN
SCHEMBL17709380 0.78 SIGMAR1 (0.50) SIGMAR1REN
SCHEMBL19831011 0.77 LDHA (0.37) SIGMAR1KDM4ERENLDHA

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-2017114812-A1 COMBINATION THERAPY OF AN HBSAG INHIBITOR AND AN INTERFERON F. HOFFMANN-LA ROCHE AG (CH) 2017-07-06 WO disclosed