SCHEMBL24727664

SCHEMBL24727664

CNC(C=C(C)C)CC=C(C)C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL8338046 0.75
SCHEMBL11663035 0.70
SCHEMBL11204922 0.67 ALOX15 (0.34) GRIK1GRIK2ALDH1A1
SCHEMBL18638830 0.65
SCHEMBL15779620 0.65 GRIK1 (0.37) GRIK1GRIK2ALDH1A1
SCHEMBL28502719 0.65 GRIK1 (0.32) GRIK1GRIK2
SCHEMBL38654385 0.65 GRIK1 (0.32) GRIK1GRIK2
SCHEMBL109608 0.62
SCHEMBL8388179 0.62 ALOX15 (0.44) GRIK1GRIK2ALDH1A1
SCHEMBL8814322 0.62 ALDH1A1 (0.34) GRIK1GRIK2ALDH1A1

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-2022159454-A1 BET SUBFAMILY INHIBITORS AND METHODS USING SAME BAYLOR COLLEGE OF MEDICINE (US) 2022-07-28 WO disclosed