SCHEMBL16517005

SCHEMBL16517005

CC1CCc2c1c(C(=O)O)nn2-c1cccc(C#C[C@]2(O)CCN(C)C2=O)c1

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.86

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
SCHEMBL16517185 0.92 MAP3K14 (1.00) MAP3K14
SCHEMBL16534108 0.92 MAP3K14 (1.00) MAP3K14
SCHEMBL16516390 0.92 MAP3K14 (1.00) MAP3K14
SCHEMBL16517128 0.92 MAP3K14 (1.00) MAP3K14
SCHEMBL16517108 0.92 MAP3K14 (0.78) MAP3K14
SCHEMBL16532640 0.89 MAP3K14 (0.79) MAP3K14
SCHEMBL16534147 0.89 MAP3K14 (0.79) MAP3K14
SCHEMBL18673370 0.86 MAP3K14 (0.77) MAP3K14
SCHEMBL16532602 0.84 MAP3K14 (0.91) MAP3K14
SCHEMBL16532600 0.84 MAP3K14 (0.91) MAP3K14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3036230-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 — — EP disclosed
WO-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
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